A0A087YHD4_POEFO Loading...

Calcium/calmodulin dependent protein kinase I

AlphaFold DB , UniProt , Accession A0A087YHD4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 383 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.3Very low50Low233 Ų233115.8 Ų115.8100%1.14870%0.7SS**  0120.30-62.9-162.5-131.400106.6
2P36.5Very low53.4Low136 Ų136113.8 Ų113.888%0.88367%0.674SS**PPolyproline II helixtrans-75.1135.8177.7314.1000109.3
3L37.5Very low56.3Low171 Ų171115.9 Ų115.990%0.89567%0.67SS**PPolyproline II helixtrans-64.3135173.8-68.7152.2000109
4G35Very low58.9Low66 Ų66108.7 Ų108.768%0.6863%0.629SS**PPolyproline II helixtrans-63.6134.5179.200000112.1D6G4-D6 VanDerWaalsContact C-N 3.34Å; G4-D6 PolarHBondContact O-N 3.1Å; G4-D6 VanDerWaalsContact O-N 3.1Å
5E40.7Very low61Low197 Ų197108 Ų10892%0.92163%0.632SS**  trans-71.588.6163.5-69.3-179.2142.800108.6G7E5-G7 PolarHBondContact O-N 3.4Å
6D41.3Very low63Low167 Ų167105.5 Ų105.589%0.89362%0.616SS**  trans-73.779.6166.2-76.4-26.2000109G4 N8G4-D6 VanDerWaalsContact C-N 3.34Å; G4-D6 PolarHBondContact O-N 3.1Å; G4-D6 VanDerWaalsContact O-N 3.1Å; D6-N8 PolarHBondContact O-N 2.91Å
7G44.5Very low64.8Low65 Ų6599.4 Ų99.467%0.6758%0.58SS**  trans-68119.2171.500000110.9E5 G9E5-G7 PolarHBondContact O-N 3.4Å; G7-G9 PolarHBondContact O-N 3.33Å; G7-G9 VanDerWaalsContact O-N 3.11Å
8N54.8Low66.4Low78 Ų78100.4 Ų100.442%0.41758%0.576SS.*  trans11.982.6166.3-103.6-13.9000115.9D6 W10 K11D6-N8 PolarHBondContact O-N 2.91Å; N8-W10 PolarHBondContact ND2-NE1 3.11Å; N8-W10 PolarHBondContact O-N 2.89Å; N8-W10 PolarHBondContact OD1-NE1 3.08Å; N8-K11 PolarHBondContact O-N 2.99Å; N8-K11 VanDerWaalsContact O-N 3.08Å
9G64.8Low67.9Low86 Ų86101.1 Ų101.189%0.88757%0.573SS**THydrogen-bonded Turntrans-62.8-1.2-173.500000117.3G7G7-G9 PolarHBondContact O-N 3.33Å; G7-G9 VanDerWaalsContact O-N 3.11Å
10W75.7Confident69.2Low45 Ų4599.8 Ų99.817%0.1756%0.562CS.*THydrogen-bonded Turntrans-88.2-13.7174.258.3-92.7000113.4N8 E65 I68 A69 I85N8-W10 PolarHBondContact ND2-NE1 3.11Å; N8-W10 PolarHBondContact O-N 2.89Å; N8-W10 PolarHBondContact OD1-NE1 3.08Å; W10-E65 HydrophobicContact CZ2-CB 4.48Å; W10-I68 HydrophobicContact CE3-CG2 4.17Å; W10-I68 HydrophobicContact CH2-CB 3.96Å; W10-I68 HydrophobicContact CH2-CG2 3.84Å; W10-I68 HydrophobicContact CZ3-CB 3.99Å; W10-I68 HydrophobicContact CZ3-CG2 3.32Å; W10-A69 HydrophobicContact CZ2-CB 4.01Å; W10-I85 HydrophobicContact CE3-CB 4.42Å; W10-I85 HydrophobicContact CE3-CD1 3.51Å; W10-I85 HydrophobicContact CE3-CG1 4.46Å; W10-I85 HydrophobicContact CZ3-CB 4.42Å; W10-I85 HydrophobicContact CZ3-CD1 3.78Å; W10-I85 HydrophobicContact CZ3-CG1 4.42Å; W10-I85 HydrophobicContact CZ3-CG2 4.22Å
11K85.5Confident70.6Confident30 Ų3095.1 Ų95.113%0.1354%0.536CS..EExtended strand (participates in β ladder)trans-113.5114-176.4-174.7168.358.8157.10110.9N8 E65 I85 E87 L92N8-K11 PolarHBondContact O-N 2.99Å; N8-K11 VanDerWaalsContact O-N 3.08Å; K11-E65 IonicContact NZ-OE1 2.87Å; K11-E65 PolarHBondContact NZ-OE1 3.18Å; K11-I85 HydrophobicContact CG-CG2 4.1Å; K11-E87 HydrophobicContact CD-CB 4.09Å; K11-E87 HydrophobicContact CD-CG 4.5Å; K11-E87 WeakPolarHBondContact CD-OE2 3.34Å; K11-E87 WeakPolarHBondContact CE-OE2 3.48Å; K11-E87 HydrophobicContact CG-CB 4.03Å; K11-E87 IonicContact NZ-OE2 2.64Å; K11-E87 PolarHBondContact NZ-OE2 3.39Å; K11-L92 HydrophobicContact CD-CD1 4.38Å
12K90.9Very high73.6Confident91 Ų9187.6 Ų87.640%0.39650%0.5SS..EExtended strand (participates in β ladder)trans-85.6124.8-177.9-63.8170.3179.7169.70110.4D84 I85 F86 E87K12-D84 WeakPolarHBondContact CE-OD1 3.38Å; K12-D84 IonicContact NZ-OD1 3.56Å; K12-D84 PolarHBondContact NZ-OD1 2.99Å; K12-D84 IonicContact NZ-OD2 2.69Å; K12-D84 PolarHBondContact NZ-OD2 2.87Å; K12-I85 WeakPolarHBondContact CB-O 3.37Å; K12-I85 PolarHBondContact N-O 3.32Å; K12-F86 HydrophobicContact CB-CD1 3.73Å; K12-F86 HydrophobicContact CB-CE1 3.86Å; K12-F86 HydrophobicContact CB-CG 4.23Å; K12-F86 HydrophobicContact CB-CZ 4.45Å; K12-F86 HydrophobicContact CD-CD1 4.43Å; K12-F86 HydrophobicContact CD-CE1 3.81Å; K12-F86 HydrophobicContact CD-CE2 4.1Å; K12-F86 HydrophobicContact CD-CZ 3.63Å; K12-F86 HydrophobicContact CG-CE1 4.48Å; K12-F86 CarbonylContact O-C 3.49Å; K12-F86 VanDerWaalsContact O-CA 3.24Å; K12-F86 WeakPolarHBondContact O-CA 3.49Å; K12-E87 PolarHBondContact O-N 2.69Å
13K91.9Very high76.5Confident142 Ų14284.1 Ų84.162%0.61747%0.471SS*.EExtended strand (participates in β ladder)trans-77.5139.8171.9-64.7-65.4-170.8177.80109.9E87K13-E87 WeakPolarHBondContact CA-O 3.5Å; K13-E87 HydrophobicContact CD-CB 4.34Å; K13-E87 IonicContact NZ-OE1 3.54Å; K13-E87 PolarHBondContact NZ-OE1 3.32Å; K13-E87 IonicContact NZ-OE2 2.98Å; K13-E87 PolarHBondContact NZ-OE2 3.49Å
14T91.8Very high79.1Confident15 Ų1580.3 Ų80.39%0.09245%0.448CS..  trans-144.2144.6175.9-176.40000111.3D16 F86 E87 S88T14-D16 VanDerWaalsContact OG1-C 3.29Å; T14-D16 PolarHBondContact OG1-N 3.18Å; T14-D16 PolarHBondContact OG1-O 3.02Å; T14-D16 VanDerWaalsContact OG1-O 3.14Å; T14-F86 HydrophobicContact CG2-CB 3.98Å; T14-F86 HydrophobicContact CG2-CD1 4.08Å; T14-E87 PolarHBondContact N-O 3.4Å; T14-S88 VanDerWaalsContact O-CA 3.31Å; T14-S88 WeakPolarHBondContact O-CA 3.47Å; T14-S88 WeakPolarHBondContact O-CB 3.35Å
15S90.9Very high81.7Confident98 Ų9881.9 Ų81.969%0.68544%0.437SS*.SBendtrans-70.7-47.616831.90000111E19S15-E19 PolarHBondContact OG-OE1 3.33Å
16D92.1Very high84Confident68 Ų6874.1 Ų74.136%0.36440%0.403SS..  trans-145.1120179.1-173.2-6.1000110T14 K18 E19T14-D16 VanDerWaalsContact OG1-C 3.29Å; T14-D16 PolarHBondContact OG1-N 3.18Å; T14-D16 PolarHBondContact OG1-O 3.02Å; T14-D16 VanDerWaalsContact OG1-O 3.14Å; D16-K18 PolarHBondContact O-N 3.29Å; D16-K18 VanDerWaalsContact O-N 3.1Å; D16-K18 WeakPolarHBondContact OD1-CB 3.41Å; D16-K18 WeakPolarHBondContact OD1-CG 3.34Å; D16-K18 PolarHBondContact OD1-N 2.96Å; D16-E19 HydrophobicContact CB-CG 4.31Å; D16-E19 WeakPolarHBondContact O-CB 3.24Å; D16-E19 WeakPolarHBondContact O-CG 3.48Å; D16-E19 PolarHBondContact O-N 2.86Å
17I94.1Very high85.9Confident2 Ų269.1 Ų69.11%0.0138%0.376CS..G310 helixtrans-59.2-24.2178-168.857.6000112.4E19 H20 Y21 F23 F86 Y93I17-E19 PolarHBondContact O-N 3.15Å; I17-H20 PolarHBondContact O-N 2.98Å; I17-Y21 HydrophobicContact CD1-CD2 3.73Å; I17-Y21 HydrophobicContact CD1-CE2 3.96Å; I17-Y21 HydrophobicContact CG1-CD2 4.03Å; I17-Y21 PolarHBondContact O-N 3.45Å; I17-Y21 VanDerWaalsContact O-N 3.13Å; I17-F23 HydrophobicContact CG1-CE1 4.21Å; I17-F23 HydrophobicContact CG1-CZ 4.31Å; I17-F23 HydrophobicContact CG2-CE1 3.76Å; I17-F23 HydrophobicContact CG2-CE2 4.45Å; I17-F23 HydrophobicContact CG2-CZ 3.49Å; I17-F23 VanDerWaalsContact CG2-CZ 3.49Å; I17-F86 HydrophobicContact CD1-CB 3.58Å; I17-F86 HydrophobicContact CD1-CD1 3.78Å; I17-F86 HydrophobicContact CD1-CD2 3.69Å; I17-F86 HydrophobicContact CD1-CE1 4.35Å; I17-F86 HydrophobicContact CD1-CE2 4.28Å; I17-F86 HydrophobicContact CD1-CG 3.41Å; I17-F86 VanDerWaalsContact CD1-CG 3.41Å; I17-Y93 HydrophobicContact CB-CD1 4.31Å; I17-Y93 HydrophobicContact CB-CD2 4.04Å; I17-Y93 HydrophobicContact CB-CE1 4.2Å; I17-Y93 HydrophobicContact CB-CE2 3.91Å; I17-Y93 HydrophobicContact CB-CG 4.23Å; I17-Y93 HydrophobicContact CD1-CD2 4.49Å; I17-Y93 HydrophobicContact CD1-CG 4.48Å; I17-Y93 HydrophobicContact CG1-CD1 4.24Å; I17-Y93 HydrophobicContact CG1-CD2 4.24Å; I17-Y93 HydrophobicContact CG1-CG 4.05Å; I17-Y93 HydrophobicContact CG2-CD1 4.03Å; I17-Y93 HydrophobicContact CG2-CD2 4.49Å; I17-Y93 HydrophobicContact CG2-CE1 3.59Å; I17-Y93 HydrophobicContact CG2-CE2 4.08Å; I17-Y93 HydrophobicContact CG2-CG 4.46Å
18K94Very high87.3Confident118 Ų11866.3 Ų66.351%0.51335%0.347SS..G310 helixtrans-68.3-12.3177.4-63.1179.3178.9-177.90113.2D16 H20 Y21 F23 K41D16-K18 PolarHBondContact O-N 3.29Å; D16-K18 VanDerWaalsContact O-N 3.1Å; D16-K18 WeakPolarHBondContact OD1-CB 3.41Å; D16-K18 WeakPolarHBondContact OD1-CG 3.34Å; D16-K18 PolarHBondContact OD1-N 2.96Å; K18-H20 PolarHBondContact O-N 3.33Å; K18-Y21 WeakPolarHBondContact CA-O 3.1Å; K18-F23 HydrophobicContact CG-CD1 4.45Å; K18-K41 WeakPolarHBondContact O-CE 3.38Å; K18-K41 PolarHBondContact O-NZ 2.61Å
19E94.2Very high88.1Confident112 Ų11265.9 Ų65.952%0.52335%0.347SS..G310 helixtrans-68.2-26.5169.1-66.2174.9-158.700111.7S15 D16 I17 K41S15-E19 PolarHBondContact OG-OE1 3.33Å; D16-E19 HydrophobicContact CB-CG 4.31Å; D16-E19 WeakPolarHBondContact O-CB 3.24Å; D16-E19 WeakPolarHBondContact O-CG 3.48Å; D16-E19 PolarHBondContact O-N 2.86Å; I17-E19 PolarHBondContact O-N 3.15Å; E19-K41 WeakPolarHBondContact O-CD 2.97Å
20H95.3Very high88.2Confident75 Ų7562.9 Ų62.935%0.34732%0.316SS..THydrogen-bonded Turntrans-103.6-28.6-177.8-58.9-70.9000113.5I17 K18 K41 F86I17-H20 PolarHBondContact O-N 2.98Å; K18-H20 PolarHBondContact O-N 3.33Å; H20-K41 WeakPolarHBondContact O-CB 3.33Å; H20-K41 PolarHBondContact O-N 3.23Å; H20-F86 AromaticContact CD2-CE1 3.55Å; H20-F86 AromaticContact CG-CE1 3.93Å; H20-F86 AromaticContact NE2-CE1 3.77Å
21Y97.3Very high87.6Confident3 Ų363.1 Ų63.11%0.01233%0.328CS..EExtended strand (participates in β ladder)trans-133.7140.5-172.6-63.9-88.2000112.6I17 K18 A38 E39 E40 V47 I49 F86 V95I17-Y21 HydrophobicContact CD1-CD2 3.73Å; I17-Y21 HydrophobicContact CD1-CE2 3.96Å; I17-Y21 HydrophobicContact CG1-CD2 4.03Å; I17-Y21 PolarHBondContact O-N 3.45Å; I17-Y21 VanDerWaalsContact O-N 3.13Å; K18-Y21 WeakPolarHBondContact CA-O 3.1Å; Y21-A38 HydrophobicContact CD1-CB 4.38Å; Y21-E39 CarbonylContact C-O 3.49Å; Y21-E39 VanDerWaalsContact CA-O 3.28Å; Y21-E39 WeakPolarHBondContact CA-O 3.39Å; Y21-E40 HydrophobicContact CD1-CB 3.95Å; Y21-E40 HydrophobicContact CD1-CG 4.45Å; Y21-E40 HydrophobicContact CE1-CB 3.62Å; Y21-E40 HydrophobicContact CE1-CG 3.91Å; Y21-V47 HydrophobicContact CD1-CG2 3.81Å; Y21-V47 HydrophobicContact CE1-CG2 3.67Å; Y21-I49 HydrophobicContact CD1-CD1 3.86Å; Y21-I49 HydrophobicContact CD2-CD1 3.9Å; Y21-I49 HydrophobicContact CE1-CD1 4.37Å; Y21-I49 HydrophobicContact CE2-CD1 4.42Å; Y21-I49 HydrophobicContact CG-CD1 3.62Å; Y21-F86 HydrophobicContact CE2-CD2 4.33Å; Y21-F86 AromaticContact CE2-CE2 3.71Å; Y21-F86 HydrophobicContact CE2-CE2 3.71Å; Y21-F86 HydrophobicContact CE2-CZ 4.02Å; Y21-V95 HydrophobicContact CE1-CG1 4.24Å; Y21-V95 HydrophobicContact CE2-CG2 4.11Å
22D97.2Very high86.9Confident75 Ų7568.1 Ų68.140%0.40135%0.35SS..EExtended strand (participates in β ladder)trans-91.2111167.5-70.6-47.3000109.5A38 E39 K41D22-A38 CarbonylContact O-C 3.52Å; D22-A38 VanDerWaalsContact O-CA 3.26Å; D22-A38 WeakPolarHBondContact O-CA 3.08Å; D22-E39 PolarHBondContact N-O 2.66Å; D22-E39 PolarHBondContact O-N 3.03Å; D22-K41 WeakPolarHBondContact OD1-CE 3.47Å; D22-K41 IonicContact OD1-NZ 3.99Å; D22-K41 PolarHBondContact OD1-NZ 3.29Å; D22-K41 VanDerWaalsContact OD2-CE 3.32Å; D22-K41 WeakPolarHBondContact OD2-CE 3.26Å; D22-K41 WeakPolarHBondContact OD2-CG 3.31Å
23F96.1Very high86.4Confident63 Ų6364.8 Ų64.828%0.27634%0.338SS..EExtended strand (participates in β ladder)trans-75.7135.9-179.5-8037000109.9I17 K18 V36 A38 I49I17-F23 HydrophobicContact CG1-CE1 4.21Å; I17-F23 HydrophobicContact CG1-CZ 4.31Å; I17-F23 HydrophobicContact CG2-CE1 3.76Å; I17-F23 HydrophobicContact CG2-CE2 4.45Å; I17-F23 HydrophobicContact CG2-CZ 3.49Å; I17-F23 VanDerWaalsContact CG2-CZ 3.49Å; K18-F23 HydrophobicContact CG-CD1 4.45Å; F23-V36 HydrophobicContact CB-CG1 4.2Å; F23-V36 HydrophobicContact CD2-CB 4.15Å; F23-V36 HydrophobicContact CD2-CG1 3.82Å; F23-V36 HydrophobicContact CD2-CG2 4.26Å; F23-V36 HydrophobicContact CE2-CB 4.36Å; F23-V36 HydrophobicContact CE2-CG2 4.29Å; F23-V36 HydrophobicContact CG-CG1 4.22Å; F23-A38 HydrophobicContact CD1-CB 4.08Å; F23-A38 HydrophobicContact CE1-CB 4.42Å; F23-I49 HydrophobicContact CE1-CD1 3.86Å; F23-I49 HydrophobicContact CZ-CD1 4.24Å; F23-I49 HydrophobicContact CZ-CG2 4.38Å
24K94.1Very high86.1Confident91 Ų9161.8 Ų61.840%0.39633%0.326SS..EExtended strand (participates in β ladder)trans-113.1-136178.6-49.2-165.1-177.3-159.80109.7L37 E39 L46K24-L37 WeakPolarHBondContact CA-O 3.49Å; K24-L37 HydrophobicContact CB-CB 4.24Å; K24-L37 HydrophobicContact CB-CD2 4.22Å; K24-L37 HydrophobicContact CB-CG 4.2Å; K24-L37 WeakPolarHBondContact CB-O 3.48Å; K24-L37 HydrophobicContact CD-CD2 3.97Å; K24-L37 HydrophobicContact CD-CG 4.22Å; K24-L37 HydrophobicContact CG-CG 4.44Å; K24-L37 PolarHBondContact N-O 2.71Å; K24-E39 WeakPolarHBondContact CE-OE2 3.48Å; K24-E39 IonicContact NZ-OE2 3.68Å; K24-E39 PolarHBondContact NZ-OE2 3.01Å; K24-L46 HydrophobicContact CD-CD2 4.46Å
25E89.4Confident85.9Confident98 Ų9862.2 Ų62.246%0.45833%0.329SS..EExtended strand (participates in β ladder)trans-68149175.864.5-88.4-151.300112.6L27 V36 L37E25-L27 HydrophobicContact CG-CD2 4.42Å; E25-V36 WeakPolarHBondContact O-CG1 3.44Å; E25-L37 VanDerWaalsContact CD-CD2 3.44Å; E25-L37 HydrophobicContact CG-CB 4.3Å; E25-L37 HydrophobicContact CG-CD2 4.4Å; E25-L37 PolarHBondContact O-N 2.75Å; E25-L37 WeakPolarHBondContact OE1-CD2 3.46Å
26V89.2Confident86Confident34 Ų3457.7 Ų57.721%0.20630%0.297CS..EExtended strand (participates in β ladder)trans-68.9135.4165176.80000107.3G28 E34 V35 V36 Y310V26-G28 WeakPolarHBondContact CG1-O 3.46Å; V26-E34 HydrophobicContact CB-CG 4.49Å; V26-E34 HydrophobicContact CG1-CG 3.57Å; V26-E34 HydrophobicContact CG2-CG 4.09Å; V26-V35 WeakPolarHBondContact CG1-O 3.37Å; V26-V36 HydrophobicContact CG2-CG2 4.27Å; V26-Y310 WeakPolarHBondContact CA-OH 3.27Å; V26-Y310 WeakPolarHBondContact CB-OH 3.34Å; V26-Y310 HydrophobicContact CG1-CE2 4Å; V26-Y310 WeakPolarHBondContact CG1-OH 3.43Å; V26-Y310 WeakPolarHBondContact O-CE1 3.36Å; V26-Y310 PolarHBondContact O-OH 3.03Å
27L80.3Confident86.1Confident62 Ų6255.1 Ų55.133%0.32528%0.284SS..EExtended strand (participates in β ladder)trans-97.6-28.9176-64.3175.7000111.4E25 V35 L37 A48 L98 C309 Y310E25-L27 HydrophobicContact CG-CD2 4.42Å; L27-V35 HydrophobicContact CB-CG1 4.23Å; L27-V35 HydrophobicContact CD1-CG1 4.41Å; L27-V35 PolarHBondContact N-O 2.64Å; L27-L37 HydrophobicContact CD1-CB 3.99Å; L27-L37 HydrophobicContact CD2-CB 4.01Å; L27-L37 HydrophobicContact CG-CB 3.91Å; L27-A48 HydrophobicContact CD1-CB 4Å; L27-L98 HydrophobicContact CD1-CD1 3.87Å; L27-C309 PolarHBondContact O-SG 2.8Å; L27-Y310 VanDerWaalsContact C-CE2 3.44Å; L27-Y310 WeakPolarHBondContact O-CD2 3.45Å; L27-Y310 WeakPolarHBondContact O-CE2 3.29Å
28G74.1Confident86.1Confident6 Ų655 Ų556%0.06228%0.283CS..EExtended strand (participates in β ladder)trans-164.8148.9178.600000113.1V26 E34 V35 C309 Y310V26-G28 WeakPolarHBondContact CG1-O 3.46Å; G28-E34 CarbonylContact O-C 3.39Å; G28-V35 PolarHBondContact N-O 2.84Å; G28-V35 VanDerWaalsContact N-O 3.1Å; G28-V35 PolarHBondContact O-N 3.49Å; G28-C309 WeakPolarHBondContact CA-SG 3.46Å; G28-Y310 VanDerWaalsContact CA-CE2 3.45Å
29T72.4Confident86.3Confident69 Ų6951.1 Ų51.142%0.42327%0.267SS..EExtended strand (participates in β ladder)trans-122.8116.9173.3-52.30000106.3F308T29-F308 WeakPolarHBondContact O-CD1 3.42Å; T29-F308 WeakPolarHBondContact O-CE1 3.37Å
30G66.1Low86.4Confident23 Ų2346.9 Ų46.924%0.23725%0.247CC..EExtended strand (participates in β ladder)trans-91.2168.2175.100000113.5F32 S33 F308G30-F32 PolarHBondContact O-N 3.46Å; G30-F32 VanDerWaalsContact O-N 3.15Å; G30-S33 CarbonylContact C-O 3.57Å; G30-S33 VanDerWaalsContact CA-O 3.25Å; G30-S33 WeakPolarHBondContact CA-O 3.34Å; G30-S33 PolarHBondContact N-O 2.98Å; G30-F308 VanDerWaalsContact C-CZ 3.41Å; G30-F308 WeakPolarHBondContact O-CE1 3.5Å
31A62.4Low86.4Confident51 Ų5147.4 Ų47.442%0.42125%0.248SC..THydrogen-bonded Turntrans-59.1-32.1-176.700000112.4F308A31-F308 HydrophobicContact CB-CE1 4.5Å; A31-F308 HydrophobicContact CB-CE2 3.79Å; A31-F308 HydrophobicContact CB-CZ 3.69Å
32F71.9Confident86.3Confident134 Ų13457 Ų5759%0.58828%0.284SS*.THydrogen-bonded Turntrans-138.123.2-178.6-55.4-72.5000112.4G30 P53 A56G30-F32 PolarHBondContact O-N 3.46Å; G30-F32 VanDerWaalsContact O-N 3.15Å; F32-P53 WeakPolarHBondContact O-CD 3.44Å; F32-A56 HydrophobicContact CB-CB 3.78Å; F32-A56 HydrophobicContact CD1-CB 4.02Å; F32-A56 HydrophobicContact CG-CB 4.16Å
33S79Confident86.2Confident21 Ų2156.3 Ų56.315%0.14728%0.283CS..EExtended strand (participates in β ladder)trans-155.4158.1-179.762.70000112.1G30 K50 C51G30-S33 CarbonylContact C-O 3.57Å; G30-S33 VanDerWaalsContact CA-O 3.25Å; G30-S33 WeakPolarHBondContact CA-O 3.34Å; G30-S33 PolarHBondContact N-O 2.98Å; S33-K50 VanDerWaalsContact OG-CE 3.25Å; S33-K50 WeakPolarHBondContact OG-CE 3.47Å; S33-C51 CarbonylContact C-O 3.54Å; S33-C51 WeakPolarHBondContact CA-O 3.43Å; S33-C51 WeakPolarHBondContact CB-O 3.28Å
34E86Confident86.1Confident79 Ų7958.8 Ų58.837%0.36930%0.295SS..EExtended strand (participates in β ladder)trans-127.9132.5170.5-174.3177.476.800109.2V26 G28 V36 K50 C51V26-E34 HydrophobicContact CB-CG 4.49Å; V26-E34 HydrophobicContact CG1-CG 3.57Å; V26-E34 HydrophobicContact CG2-CG 4.09Å; G28-E34 CarbonylContact O-C 3.39Å; E34-V36 HydrophobicContact CG-CG2 4.01Å; E34-K50 CarbonylContact O-C 3.55Å; E34-K50 WeakPolarHBondContact O-CA 3.32Å; E34-C51 PolarHBondContact N-O 3.35Å; E34-C51 WeakPolarHBondContact O-CB 3.49Å; E34-C51 PolarHBondContact O-N 3.35Å
35V88.1Confident86.1Confident24 Ų2459.5 Ų59.515%0.14530%0.295CS..EExtended strand (participates in β ladder)trans-101.4122.6175.7-173.80000108V26 L27 G28 A48 I49 K50V26-V35 WeakPolarHBondContact CG1-O 3.37Å; L27-V35 HydrophobicContact CB-CG1 4.23Å; L27-V35 HydrophobicContact CD1-CG1 4.41Å; L27-V35 PolarHBondContact N-O 2.64Å; G28-V35 PolarHBondContact N-O 2.84Å; G28-V35 VanDerWaalsContact N-O 3.1Å; G28-V35 PolarHBondContact O-N 3.49Å; V35-A48 HydrophobicContact CG1-CB 4.1Å; V35-I49 CarbonylContact C-O 3.55Å; V35-I49 WeakPolarHBondContact CA-O 3.28Å; V35-K50 HydrophobicContact CG2-CB 4.14Å; V35-K50 HydrophobicContact CG2-CD 4.35Å; V35-K50 HydrophobicContact CG2-CG 3.98Å
36V92.4Very high86.4Confident3 Ų358.3 Ų58.32%0.01829%0.292CS..EExtended strand (participates in β ladder)trans-120.8137.8-175.7-166.60000109.9F23 E25 V26 E34 I49F23-V36 HydrophobicContact CB-CG1 4.2Å; F23-V36 HydrophobicContact CD2-CB 4.15Å; F23-V36 HydrophobicContact CD2-CG1 3.82Å; F23-V36 HydrophobicContact CD2-CG2 4.26Å; F23-V36 HydrophobicContact CE2-CB 4.36Å; F23-V36 HydrophobicContact CE2-CG2 4.29Å; F23-V36 HydrophobicContact CG-CG1 4.22Å; E25-V36 WeakPolarHBondContact O-CG1 3.44Å; V26-V36 HydrophobicContact CG2-CG2 4.27Å; E34-V36 HydrophobicContact CG-CG2 4.01Å; V36-I49 PolarHBondContact N-O 2.83Å; V36-I49 PolarHBondContact O-N 3.22Å
37L93.8Very high86.6Confident15 Ų1556.7 Ų56.78%0.07928%0.282CS..EExtended strand (participates in β ladder)trans-69130.3166.3177.764.3000108.2K24 E25 L27 L46 L98K24-L37 WeakPolarHBondContact CA-O 3.49Å; K24-L37 HydrophobicContact CB-CB 4.24Å; K24-L37 HydrophobicContact CB-CD2 4.22Å; K24-L37 HydrophobicContact CB-CG 4.2Å; K24-L37 WeakPolarHBondContact CB-O 3.48Å; K24-L37 HydrophobicContact CD-CD2 3.97Å; K24-L37 HydrophobicContact CD-CG 4.22Å; K24-L37 HydrophobicContact CG-CG 4.44Å; K24-L37 PolarHBondContact N-O 2.71Å; E25-L37 VanDerWaalsContact CD-CD2 3.44Å; E25-L37 HydrophobicContact CG-CB 4.3Å; E25-L37 HydrophobicContact CG-CD2 4.4Å; E25-L37 PolarHBondContact O-N 2.75Å; E25-L37 WeakPolarHBondContact OE1-CD2 3.46Å; L27-L37 HydrophobicContact CD1-CB 3.99Å; L27-L37 HydrophobicContact CD2-CB 4.01Å; L27-L37 HydrophobicContact CG-CB 3.91Å; L37-L46 HydrophobicContact CD1-CB 4.26Å; L37-L46 HydrophobicContact CD1-CD2 4.45Å; L37-L98 HydrophobicContact CD1-CD1 3.81Å; L37-L98 HydrophobicContact CD1-CD2 3.58Å; L37-L98 HydrophobicContact CD1-CG 4.33Å
38A95.9Very high87.2Confident0 Ų054.3 Ų54.30%027%0.271CS..EExtended strand (participates in β ladder)trans-139.3157.1176.800000111.9Y21 D22 F23 L46 V47 I49Y21-A38 HydrophobicContact CD1-CB 4.38Å; D22-A38 CarbonylContact O-C 3.52Å; D22-A38 VanDerWaalsContact O-CA 3.26Å; D22-A38 WeakPolarHBondContact O-CA 3.08Å; F23-A38 HydrophobicContact CD1-CB 4.08Å; F23-A38 HydrophobicContact CE1-CB 4.42Å; A38-L46 CarbonylContact O-C 3.56Å; A38-L46 WeakPolarHBondContact O-CA 3.3Å; A38-V47 HydrophobicContact CB-CG2 4.16Å; A38-V47 PolarHBondContact N-O 2.87Å; A38-V47 WeakPolarHBondContact O-CG2 3.44Å; A38-V47 PolarHBondContact O-N 3.34Å; A38-I49 HydrophobicContact CB-CD1 3.46Å; A38-I49 VanDerWaalsContact CB-CD1 3.46Å; A38-I49 HydrophobicContact CB-CG1 3.89Å
39E96.8Very high88.1Confident35 Ų3554 Ų5416%0.16427%0.268CS..EExtended strand (participates in β ladder)trans-113.5123.4176.4-172.5169168.200110Y21 D22 K24 K41 Q44 R45 L46Y21-E39 CarbonylContact C-O 3.49Å; Y21-E39 VanDerWaalsContact CA-O 3.28Å; Y21-E39 WeakPolarHBondContact CA-O 3.39Å; D22-E39 PolarHBondContact N-O 2.66Å; D22-E39 PolarHBondContact O-N 3.03Å; K24-E39 WeakPolarHBondContact CE-OE2 3.48Å; K24-E39 IonicContact NZ-OE2 3.68Å; K24-E39 PolarHBondContact NZ-OE2 3.01Å; E39-K41 PolarHBondContact O-N 2.63Å; E39-Q44 WeakPolarHBondContact OE1-CB 3.07Å; E39-Q44 PolarHBondContact OE1-OE1 2.81Å; E39-R45 WeakPolarHBondContact CA-O 3.29Å; E39-L46 HydrophobicContact CB-CD2 3.91Å; E39-L46 HydrophobicContact CG-CD2 4.13Å
40E96.4Very high89Confident23 Ų2351.8 Ų51.811%0.10725%0.253CS..EExtended strand (participates in β ladder)trans-67.3117176.7-173.7-169.9169.700109.4Y21 R42 T43 Q44 R45Y21-E40 HydrophobicContact CD1-CB 3.95Å; Y21-E40 HydrophobicContact CD1-CG 4.45Å; Y21-E40 HydrophobicContact CE1-CB 3.62Å; Y21-E40 HydrophobicContact CE1-CG 3.91Å; E40-R42 PolarHBondContact O-N 3.2Å; E40-R42 VanDerWaalsContact O-N 3.1Å; E40-R42 IonicContact OE1-CZ 3.75Å; E40-R42 IonicContact OE1-NE 3.39Å; E40-R42 PolarHBondContact OE1-NE 3.1Å; E40-R42 IonicContact OE1-NH2 3.18Å; E40-R42 PolarHBondContact OE1-NH2 3Å; E40-T43 WeakPolarHBondContact CB-OG1 3.28Å; E40-T43 PolarHBondContact O-N 3.49Å; E40-T43 WeakPolarHBondContact OE2-CG2 3.31Å; E40-T43 PolarHBondContact OE2-OG1 3.11Å; E40-Q44 VanDerWaalsContact O-CA 3.28Å; E40-Q44 WeakPolarHBondContact O-CA 3.25Å; E40-Q44 PolarHBondContact O-N 3.49Å; E40-R45 PolarHBondContact N-O 3.26Å
41K95.8Very high90.2Very high86 Ų8651.2 Ų51.237%0.37425%0.245SC..THydrogen-bonded Turntrans-55.8-36.6-174.3-74.5-179.6168.6-1790113.6K18 E19 H20 D22 E39 Q44K18-K41 WeakPolarHBondContact O-CE 3.38Å; K18-K41 PolarHBondContact O-NZ 2.61Å; E19-K41 WeakPolarHBondContact O-CD 2.97Å; H20-K41 WeakPolarHBondContact O-CB 3.33Å; H20-K41 PolarHBondContact O-N 3.23Å; D22-K41 WeakPolarHBondContact OD1-CE 3.47Å; D22-K41 IonicContact OD1-NZ 3.99Å; D22-K41 PolarHBondContact OD1-NZ 3.29Å; D22-K41 VanDerWaalsContact OD2-CE 3.32Å; D22-K41 WeakPolarHBondContact OD2-CE 3.26Å; D22-K41 WeakPolarHBondContact OD2-CG 3.31Å; E39-K41 PolarHBondContact O-N 2.63Å; K41-Q44 PolarHBondContact O-NE2 2.82Å
42R94.6Very high91.4Very high205 Ų20549 Ų4977%0.77423%0.226SC*.THydrogen-bonded Turntrans-75.4-36.7-176-173.2-176.363.1105.66.2113.3E40E40-R42 PolarHBondContact O-N 3.2Å; E40-R42 VanDerWaalsContact O-N 3.1Å; E40-R42 IonicContact OE1-CZ 3.75Å; E40-R42 IonicContact OE1-NE 3.39Å; E40-R42 PolarHBondContact OE1-NE 3.1Å; E40-R42 IonicContact OE1-NH2 3.18Å; E40-R42 PolarHBondContact OE1-NH2 3Å
43T95.2Very high92.2Very high60 Ų6044.8 Ų44.837%0.36821%0.212SC..THydrogen-bonded Turntrans-112.5-11.1-17165.90000113.1E40 R45E40-T43 WeakPolarHBondContact CB-OG1 3.28Å; E40-T43 PolarHBondContact O-N 3.49Å; E40-T43 WeakPolarHBondContact OE2-CG2 3.31Å; E40-T43 PolarHBondContact OE2-OG1 3.11Å; T43-R45 PolarHBondContact O-N 2.67Å; T43-R45 VanDerWaalsContact OG1-CB 3.27Å; T43-R45 WeakPolarHBondContact OG1-CB 3.48Å; T43-R45 PolarHBondContact OG1-N 3.14Å
44Q94.8Very high92.5Very high116 Ų11646.4 Ų46.454%0.54222%0.216SC..  trans58.721.1-171.9-54.7-68.5-81.600112.9E39 E40 K41E39-Q44 WeakPolarHBondContact OE1-CB 3.07Å; E39-Q44 PolarHBondContact OE1-OE1 2.81Å; E40-Q44 VanDerWaalsContact O-CA 3.28Å; E40-Q44 WeakPolarHBondContact O-CA 3.25Å; E40-Q44 PolarHBondContact O-N 3.49Å; K41-Q44 PolarHBondContact O-NE2 2.82Å
45R94.5Very high92.5Very high105 Ų10550.7 Ų50.740%0.39623%0.234SC..  trans-84.8134.7-179.6-172.6174.664113.26.7110.6E39 E40 T43 E83E39-R45 WeakPolarHBondContact CA-O 3.29Å; E40-R45 PolarHBondContact N-O 3.26Å; T43-R45 PolarHBondContact O-N 2.67Å; T43-R45 VanDerWaalsContact OG1-CB 3.27Å; T43-R45 WeakPolarHBondContact OG1-CB 3.48Å; T43-R45 PolarHBondContact OG1-N 3.14Å; R45-E83 IonicContact CZ-OE1 2.71Å; R45-E83 IonicContact CZ-OE2 2.75Å; R45-E83 IonicContact NH1-OE1 2.63Å; R45-E83 PolarHBondContact NH1-OE1 3.14Å; R45-E83 IonicContact NH1-OE2 3.79Å; R45-E83 PolarHBondContact NH1-OE2 3.1Å; R45-E83 IonicContact NH2-OE1 2.66Å; R45-E83 IonicContact NH2-OE2 3.03Å; R45-E83 PolarHBondContact NH2-OE2 3.01Å
46L94.3Very high91.8Very high74 Ų7451.3 Ų51.339%0.38724%0.242SC..EExtended strand (participates in β ladder)trans-79.5137.8175.2-60.9176.9000111.6K24 L37 A38 E39 L98K24-L46 HydrophobicContact CD-CD2 4.46Å; L37-L46 HydrophobicContact CD1-CB 4.26Å; L37-L46 HydrophobicContact CD1-CD2 4.45Å; A38-L46 CarbonylContact O-C 3.56Å; A38-L46 WeakPolarHBondContact O-CA 3.3Å; E39-L46 HydrophobicContact CB-CD2 3.91Å; E39-L46 HydrophobicContact CG-CD2 4.13Å; L46-L98 HydrophobicContact CB-CD2 3.71Å; L46-L98 HydrophobicContact CD1-CD2 4.39Å
47V94.2Very high90.9Very high0 Ų051.8 Ų51.80%024%0.244CC..EExtended strand (participates in β ladder)trans-140.7160.5-178.8-64.90000110.3Y21 A38 I49 V95Y21-V47 HydrophobicContact CD1-CG2 3.81Å; Y21-V47 HydrophobicContact CE1-CG2 3.67Å; A38-V47 HydrophobicContact CB-CG2 4.16Å; A38-V47 PolarHBondContact N-O 2.87Å; A38-V47 WeakPolarHBondContact O-CG2 3.44Å; A38-V47 PolarHBondContact O-N 3.34Å; V47-I49 HydrophobicContact CG2-CD1 4.21Å; V47-I49 HydrophobicContact CG2-CG1 3.94Å; V47-V95 HydrophobicContact CB-CG1 3.92Å; V47-V95 HydrophobicContact CG1-CG1 4.02Å; V47-V95 HydrophobicContact CG2-CG1 3.94Å
48A92.8Very high90.1Very high11 Ų1157.5 Ų57.59%0.09127%0.27CS..EExtended strand (participates in β ladder)trans-100.9128.316700000109.2L27 V35 M96 L98L27-A48 HydrophobicContact CD1-CB 4Å; V35-A48 HydrophobicContact CG1-CB 4.1Å; A48-M96 PolarHBondContact N-O 2.89Å; A48-M96 PolarHBondContact O-N 3.27Å; A48-L98 HydrophobicContact CB-CD1 4.25Å
49I93.3Very high89Confident0 Ų060.8 Ų60.80%030%0.304CS..EExtended strand (participates in β ladder)trans-113.7111.7-179.9-55.8-175.4000109.6Y21 F23 V35 V36 A38 V47 C51 Y93 L94 V95Y21-I49 HydrophobicContact CD1-CD1 3.86Å; Y21-I49 HydrophobicContact CD2-CD1 3.9Å; Y21-I49 HydrophobicContact CE1-CD1 4.37Å; Y21-I49 HydrophobicContact CE2-CD1 4.42Å; Y21-I49 HydrophobicContact CG-CD1 3.62Å; F23-I49 HydrophobicContact CE1-CD1 3.86Å; F23-I49 HydrophobicContact CZ-CD1 4.24Å; F23-I49 HydrophobicContact CZ-CG2 4.38Å; V35-I49 CarbonylContact C-O 3.55Å; V35-I49 WeakPolarHBondContact CA-O 3.28Å; V36-I49 PolarHBondContact N-O 2.83Å; V36-I49 PolarHBondContact O-N 3.22Å; A38-I49 HydrophobicContact CB-CD1 3.46Å; A38-I49 VanDerWaalsContact CB-CD1 3.46Å; A38-I49 HydrophobicContact CB-CG1 3.89Å; V47-I49 HydrophobicContact CG2-CD1 4.21Å; V47-I49 HydrophobicContact CG2-CG1 3.94Å; I49-C51 PolarHBondContact O-N 3.45Å; I49-Y93 HydrophobicContact CG2-CD1 4.13Å; I49-L94 WeakPolarHBondContact CA-O 3.38Å; I49-V95 HydrophobicContact CD1-CG2 4.44Å; I49-V95 HydrophobicContact CG1-CG2 4.35Å
50K90.4Very high87.6Confident22 Ų2262.9 Ų62.910%0.09631%0.313CS..EExtended strand (participates in β ladder)trans-83.5110.3171.3-170.4169.8-170.41660109.7S33 E34 V35 I52 Y93 L94 M96 D163S33-K50 VanDerWaalsContact OG-CE 3.25Å; S33-K50 WeakPolarHBondContact OG-CE 3.47Å; E34-K50 CarbonylContact O-C 3.55Å; E34-K50 WeakPolarHBondContact O-CA 3.32Å; V35-K50 HydrophobicContact CG2-CB 4.14Å; V35-K50 HydrophobicContact CG2-CD 4.35Å; V35-K50 HydrophobicContact CG2-CG 3.98Å; K50-I52 HydrophobicContact CG-CD1 4.48Å; K50-I52 HydrophobicContact CG-CG1 4.21Å; K50-Y93 WeakPolarHBondContact O-CA 3.41Å; K50-L94 HydrophobicContact CB-CB 4.19Å; K50-L94 PolarHBondContact N-O 3.22Å; K50-L94 PolarHBondContact O-N 2.94Å; K50-M96 HydrophobicContact CB-SD 4.24Å; K50-D163 IonicContact NZ-OD1 2.73Å; K50-D163 PolarHBondContact NZ-OD1 3.16Å
51C91.3Very high86.4Confident11 Ų1166 Ų667%0.07433%0.327CS..EExtended strand (participates in β ladder)trans-93.9119.2-179.9-55.20000109.6S33 E34 I49 Y93S33-C51 CarbonylContact C-O 3.54Å; S33-C51 WeakPolarHBondContact CA-O 3.43Å; S33-C51 WeakPolarHBondContact CB-O 3.28Å; E34-C51 PolarHBondContact N-O 3.35Å; E34-C51 WeakPolarHBondContact O-CB 3.49Å; E34-C51 PolarHBondContact O-N 3.35Å; I49-C51 PolarHBondContact O-N 3.45Å; C51-Y93 HydrophobicContact CB-CD1 4.12Å; C51-Y93 HydrophobicContact CB-CE1 4.21Å
52I87.9Confident85Confident4 Ų467.8 Ų67.82%0.02134%0.341CS..EExtended strand (participates in β ladder)trans-122.4116.9-175.8-54.7159.4000108.5K50 K54 L57 H91 L92 L94 L166K50-I52 HydrophobicContact CG-CD1 4.48Å; K50-I52 HydrophobicContact CG-CG1 4.21Å; I52-K54 PolarHBondContact O-N 3.12Å; I52-L57 HydrophobicContact CG2-CD1 3.99Å; I52-L57 HydrophobicContact CG2-CD2 3.95Å; I52-L57 HydrophobicContact CG2-CG 4.03Å; I52-H91 CarbonylContact O-C 3.29Å; I52-H91 VanDerWaalsContact O-CA 3.31Å; I52-H91 WeakPolarHBondContact O-CA 3.49Å; I52-L92 HydrophobicContact CB-CB 4.41Å; I52-L92 PolarHBondContact N-O 2.77Å; I52-L92 PolarHBondContact O-N 3.06Å; I52-L94 HydrophobicContact CD1-CD1 3.86Å; I52-L94 HydrophobicContact CD1-CG 4.09Å; I52-L166 HydrophobicContact CD1-CD1 3.49Å; I52-L166 VanDerWaalsContact CD1-CD1 3.49Å; I52-L166 HydrophobicContact CG1-CD1 4.32Å
53P88.2Confident83.8Confident46 Ų4663.4 Ų63.430%0.29933%0.333SS..EExtended strand (participates in β ladder)trans-64.3130.4174.7-19.833000110.6F32 K55 A56F32-P53 WeakPolarHBondContact O-CD 3.44Å; P53-K55 PolarHBondContact O-N 2.88Å; P53-A56 WeakPolarHBondContact O-CB 3.32Å; P53-A56 PolarHBondContact O-N 3.12Å
54K86.7Confident82.7Confident55 Ų5560.8 Ų60.824%0.23932%0.317CS..G310 helixtrans-60.8-28.6177.8-78.5-178.8166179.70113.6I52 A56 L57 E58 E87 S88 S90I52-K54 PolarHBondContact O-N 3.12Å; K54-A56 PolarHBondContact O-N 3.4Å; K54-L57 CarbonylContact O-C 3.6Å; K54-L57 WeakPolarHBondContact O-CA 3.46Å; K54-L57 WeakPolarHBondContact O-CB 3.44Å; K54-L57 PolarHBondContact O-N 3.24Å; K54-E58 PolarHBondContact O-N 2.92Å; K54-E87 VanDerWaalsContact CE-OE1 3.26Å; K54-E87 WeakPolarHBondContact CE-OE1 3.19Å; K54-E87 IonicContact NZ-OE1 3.57Å; K54-E87 PolarHBondContact NZ-OE1 2.72Å; K54-S88 VanDerWaalsContact CE-O 3.25Å; K54-S88 WeakPolarHBondContact CE-O 3.41Å; K54-S88 PolarHBondContact NZ-O 2.66Å; K54-S90 WeakPolarHBondContact CB-O 3.46Å; K54-S90 PolarHBondContact N-O 2.99Å
55K84.9Confident81.8Confident169 Ų16958.4 Ų58.474%0.73531%0.305SS*.G310 helixtrans-57.7-32.6173.1-67.8-173.4174.8-176.90112.6P53 L57P53-K55 PolarHBondContact O-N 2.88Å; K55-L57 PolarHBondContact O-N 3.47Å
56A74.3Confident80.6Confident38 Ų3858.6 Ų58.631%0.31432%0.315SS..G310 helixtrans-74-10.3175.800000113.1F32 P53 K54F32-A56 HydrophobicContact CB-CB 3.78Å; F32-A56 HydrophobicContact CD1-CB 4.02Å; F32-A56 HydrophobicContact CG-CB 4.16Å; P53-A56 WeakPolarHBondContact O-CB 3.32Å; P53-A56 PolarHBondContact O-N 3.12Å; K54-A56 PolarHBondContact O-N 3.4Å
57L73.9Confident79.6Confident13 Ų1356.6 Ų56.67%0.06830%0.303CS..G310 helixtrans-105.2-0.4-178.1-54.2176.9000112.7I52 K54 K55 G59 K60 I64 L92 I169I52-L57 HydrophobicContact CG2-CD1 3.99Å; I52-L57 HydrophobicContact CG2-CD2 3.95Å; I52-L57 HydrophobicContact CG2-CG 4.03Å; K54-L57 CarbonylContact O-C 3.6Å; K54-L57 WeakPolarHBondContact O-CA 3.46Å; K54-L57 WeakPolarHBondContact O-CB 3.44Å; K54-L57 PolarHBondContact O-N 3.24Å; K55-L57 PolarHBondContact O-N 3.47Å; L57-G59 PolarHBondContact O-N 3.28Å; L57-K60 PolarHBondContact O-N 2.9Å; L57-I64 HydrophobicContact CD1-CD1 3.65Å; L57-I64 HydrophobicContact CD2-CD1 3.43Å; L57-I64 VanDerWaalsContact CD2-CD1 3.43Å; L57-I64 HydrophobicContact CG-CD1 4.15Å; L57-L92 HydrophobicContact CD1-CD2 4.25Å; L57-I169 HydrophobicContact CD2-CG2 4.46Å
58E75.3Confident78.9Confident134 Ų13456.7 Ų56.763%0.62630%0.304SS*.THydrogen-bonded Turntrans-55.5123.6-178-78.5176.3-162.900111.2K54 E61K54-E58 PolarHBondContact O-N 2.92Å; E58-E61 VanDerWaalsContact CA-OE1 3.3Å; E58-E61 WeakPolarHBondContact CA-OE1 3.45Å
59G72.6Confident78.1Confident69 Ų6957.2 Ų57.271%0.71131%0.308SS*.THydrogen-bonded Turntrans83.23.8-178.200000115.5L57 E61L57-G59 PolarHBondContact O-N 3.28Å; G59-E61 VanDerWaalsContact CA-OE2 3.29Å; G59-E61 WeakPolarHBondContact CA-OE2 3.35Å; G59-E61 VanDerWaalsContact N-CD 3.32Å; G59-E61 PolarHBondContact N-OE1 2.86Å; G59-E61 VanDerWaalsContact N-OE1 3.09Å; G59-E61 PolarHBondContact N-OE2 3.13Å
60K68.9Low77.4Confident79 Ų7960 Ų6034%0.34333%0.325SS..  trans-129.612.5177.7-63.2178.7-173.9165.20113.4L57 N62 N63 I64 I169L57-K60 PolarHBondContact O-N 2.9Å; K60-N62 PolarHBondContact O-N 2.91Å; K60-N63 PolarHBondContact O-N 2.79Å; K60-I64 PolarHBondContact O-N 3.07Å; K60-I64 VanDerWaalsContact O-N 3.1Å; K60-I169 HydrophobicContact CD-CG2 3.82Å; K60-I169 PolarHBondContact NZ-O 3.1Å
61E71.3Confident76.8Confident88 Ų8859.4 Ų59.441%0.41132%0.323SS..Hα-helixtrans-58.7-44.4-170.4-60.587.3164.500112.6E58 G59 N63 I64 E65E58-E61 VanDerWaalsContact CA-OE1 3.3Å; E58-E61 WeakPolarHBondContact CA-OE1 3.45Å; G59-E61 VanDerWaalsContact CA-OE2 3.29Å; G59-E61 WeakPolarHBondContact CA-OE2 3.35Å; G59-E61 VanDerWaalsContact N-CD 3.32Å; G59-E61 PolarHBondContact N-OE1 2.86Å; G59-E61 VanDerWaalsContact N-OE1 3.09Å; G59-E61 PolarHBondContact N-OE2 3.13Å; E61-N63 VanDerWaalsContact C-N 3.31Å; E61-N63 PolarHBondContact O-N 2.92Å; E61-I64 WeakPolarHBondContact O-CG2 3.36Å; E61-I64 PolarHBondContact O-N 3.27Å; E61-E65 PolarHBondContact O-N 2.86Å
62N66.6Low76.4Confident124 Ų12462 Ų6266%0.66333%0.334SS*.Hα-helixtrans-69.3-28.7179.4-67.8-22.8000112.9K60 N66K60-N62 PolarHBondContact O-N 2.91Å; N62-N66 PolarHBondContact O-ND2 2.77Å
63N68.4Low76.2Confident113 Ų11371 Ų7160%0.60437%0.367SS*.Hα-helixtrans-75.1-40178.4-73.5-14.9000111K60 E61 N66 E67K60-N63 PolarHBondContact O-N 2.79Å; E61-N63 VanDerWaalsContact C-N 3.31Å; E61-N63 PolarHBondContact O-N 2.92Å; N63-N66 PolarHBondContact O-N 3.21Å; N63-E67 PolarHBondContact O-N 3.45Å; N63-E67 VanDerWaalsContact O-N 3.07Å
64I72.3Confident76.2Confident6 Ų669.1 Ų69.13%0.03136%0.355CS..Hα-helixtrans-69.6-36.4179.9-171.2166.3000112.5L57 K60 E61 N66 E67 I68 L92 L166 I169L57-I64 HydrophobicContact CD1-CD1 3.65Å; L57-I64 HydrophobicContact CD2-CD1 3.43Å; L57-I64 VanDerWaalsContact CD2-CD1 3.43Å; L57-I64 HydrophobicContact CG-CD1 4.15Å; K60-I64 PolarHBondContact O-N 3.07Å; K60-I64 VanDerWaalsContact O-N 3.1Å; E61-I64 WeakPolarHBondContact O-CG2 3.36Å; E61-I64 PolarHBondContact O-N 3.27Å; I64-N66 VanDerWaalsContact C-N 3.34Å; I64-N66 PolarHBondContact O-N 3.45Å; I64-E67 PolarHBondContact O-N 3.39Å; I64-I68 HydrophobicContact CD1-CD1 4.11Å; I64-I68 HydrophobicContact CG1-CD1 3.6Å; I64-I68 HydrophobicContact CG1-CG1 4.04Å; I64-I68 WeakPolarHBondContact O-CB 3.38Å; I64-I68 VanDerWaalsContact O-CG1 3.28Å; I64-I68 WeakPolarHBondContact O-CG1 3.49Å; I64-I68 PolarHBondContact O-N 3.1Å; I64-L92 HydrophobicContact CD1-CD2 3.98Å; I64-L166 HydrophobicContact CD1-CD2 3.7Å; I64-L166 HydrophobicContact CG1-CD2 3.99Å; I64-I169 HydrophobicContact CB-CD1 3.65Å; I64-I169 HydrophobicContact CD1-CD1 3.51Å; I64-I169 HydrophobicContact CG1-CD1 3.45Å; I64-I169 VanDerWaalsContact CG1-CD1 3.45Å
65E75.4Confident76.3Confident65 Ų6574.3 Ų74.330%0.30438%0.377SS..Hα-helixtrans-63.5-41.6177.4-71.9-166.9166.700112.1W10 K11 E61 A69W10-E65 HydrophobicContact CZ2-CB 4.48Å; K11-E65 IonicContact NZ-OE1 2.87Å; K11-E65 PolarHBondContact NZ-OE1 3.18Å; E61-E65 PolarHBondContact O-N 2.86Å; E65-A69 WeakPolarHBondContact O-CB 3.21Å; E65-A69 PolarHBondContact O-N 3.43Å
66N70.8Confident76.8Confident110 Ų11067.3 Ų67.359%0.58835%0.347SS*.Hα-helixtrans-65-41.7175-74.2-40.3000111.7N62 N63 I64 A69 V70N62-N66 PolarHBondContact O-ND2 2.77Å; N63-N66 PolarHBondContact O-N 3.21Å; I64-N66 VanDerWaalsContact C-N 3.34Å; I64-N66 PolarHBondContact O-N 3.45Å; N66-A69 PolarHBondContact O-N 3.1Å; N66-V70 WeakPolarHBondContact O-CG2 3.4Å; N66-V70 PolarHBondContact O-N 3.07Å; N66-V70 VanDerWaalsContact O-N 3.15Å
67E72.9Confident77.8Confident32 Ų3269 Ų6915%0.1536%0.355CS..Hα-helixtrans-62.2-50.7177.3-169.5165.5-178.900110.6N63 I64 A69 V70 L71 L166 I169N63-E67 PolarHBondContact O-N 3.45Å; N63-E67 VanDerWaalsContact O-N 3.07Å; I64-E67 PolarHBondContact O-N 3.39Å; E67-A69 VanDerWaalsContact C-N 3.31Å; E67-A69 PolarHBondContact O-N 3.39Å; E67-V70 CarbonylContact O-C 3.55Å; E67-V70 WeakPolarHBondContact O-CA 3.42Å; E67-V70 VanDerWaalsContact O-CB 3.31Å; E67-V70 WeakPolarHBondContact O-CB 3.43Å; E67-V70 PolarHBondContact O-N 3.34Å; E67-L71 WeakPolarHBondContact O-CG 3.42Å; E67-L71 PolarHBondContact O-N 3.09Å; E67-L166 WeakPolarHBondContact OE1-CA 3.41Å; E67-I169 VanDerWaalsContact OE2-CG1 3.25Å; E67-I169 WeakPolarHBondContact OE2-CG1 2.78Å
68I77.9Confident78.9Confident2 Ų269 Ų691%0.0136%0.355CS..Hα-helixtrans-62.1-38.2179.2-65.6168.8000112.1W10 I64 V70 L71 H72 L82 I85 L92 L94W10-I68 HydrophobicContact CE3-CG2 4.17Å; W10-I68 HydrophobicContact CH2-CB 3.96Å; W10-I68 HydrophobicContact CH2-CG2 3.84Å; W10-I68 HydrophobicContact CZ3-CB 3.99Å; W10-I68 HydrophobicContact CZ3-CG2 3.32Å; I64-I68 HydrophobicContact CD1-CD1 4.11Å; I64-I68 HydrophobicContact CG1-CD1 3.6Å; I64-I68 HydrophobicContact CG1-CG1 4.04Å; I64-I68 WeakPolarHBondContact O-CB 3.38Å; I64-I68 VanDerWaalsContact O-CG1 3.28Å; I64-I68 WeakPolarHBondContact O-CG1 3.49Å; I64-I68 PolarHBondContact O-N 3.1Å; I68-V70 PolarHBondContact O-N 2.97Å; I68-L71 HydrophobicContact CG1-CD1 4.3Å; I68-L71 PolarHBondContact O-N 2.97Å; I68-L71 VanDerWaalsContact O-N 3.13Å; I68-H72 WeakPolarHBondContact O-CB 3.39Å; I68-H72 PolarHBondContact O-N 2.75Å; I68-L82 HydrophobicContact CG2-CD2 4.04Å; I68-I85 HydrophobicContact CG2-CD1 3.43Å; I68-I85 VanDerWaalsContact CG2-CD1 3.43Å; I68-I85 HydrophobicContact CG2-CG1 3.74Å; I68-I85 HydrophobicContact CG2-CG2 4.47Å; I68-L92 HydrophobicContact CD1-CD2 3.3Å; I68-L92 HydrophobicContact CD1-CG 4.33Å; I68-L94 HydrophobicContact CD1-CD2 3.95Å; I68-L94 HydrophobicContact CG1-CD2 4.34Å; I68-L94 HydrophobicContact CG2-CD2 4.32Å
69A77.8Confident79.7Confident22 Ų2262.6 Ų62.618%0.18233%0.325CS..Hα-helixtrans-60.9-33.9174.400000112.1W10 E65 N66 E67 R73W10-A69 HydrophobicContact CZ2-CB 4.01Å; E65-A69 WeakPolarHBondContact O-CB 3.21Å; E65-A69 PolarHBondContact O-N 3.43Å; N66-A69 PolarHBondContact O-N 3.1Å; E67-A69 VanDerWaalsContact C-N 3.31Å; E67-A69 PolarHBondContact O-N 3.39Å; A69-R73 WeakPolarHBondContact O-CG 3.41Å
70V77.5Confident80.6Confident59 Ų5959.7 Ų59.736%0.35829%0.293SS..Hα-helixtrans-71.7-44.9171.5172.70000110.8N66 E67 I68 H72 R73 I74 I138N66-V70 WeakPolarHBondContact O-CG2 3.4Å; N66-V70 PolarHBondContact O-N 3.07Å; N66-V70 VanDerWaalsContact O-N 3.15Å; E67-V70 CarbonylContact O-C 3.55Å; E67-V70 WeakPolarHBondContact O-CA 3.42Å; E67-V70 VanDerWaalsContact O-CB 3.31Å; E67-V70 WeakPolarHBondContact O-CB 3.43Å; E67-V70 PolarHBondContact O-N 3.34Å; I68-V70 PolarHBondContact O-N 2.97Å; V70-H72 VanDerWaalsContact C-N 3.26Å; V70-H72 PolarHBondContact O-N 3.03Å; V70-R73 WeakPolarHBondContact O-CB 3.43Å; V70-R73 PolarHBondContact O-N 2.76Å; V70-I74 PolarHBondContact O-N 2.87Å; V70-I138 HydrophobicContact CG1-CD1 3.38Å; V70-I138 HydrophobicContact CG1-CG1 3.94Å
71L78.9Confident81.6Confident9 Ų957.6 Ų57.65%0.04729%0.289CS..Hα-helixtrans-56.8-40.7178.1-55.1-179.9000112.5E67 I68 R73 I74 L82 F164 G165E67-L71 WeakPolarHBondContact O-CG 3.42Å; E67-L71 PolarHBondContact O-N 3.09Å; I68-L71 HydrophobicContact CG1-CD1 4.3Å; I68-L71 PolarHBondContact O-N 2.97Å; I68-L71 VanDerWaalsContact O-N 3.13Å; L71-R73 PolarHBondContact O-N 2.85Å; L71-I74 HydrophobicContact CD2-CD1 4.28Å; L71-I74 WeakPolarHBondContact O-CB 3.49Å; L71-I74 PolarHBondContact O-N 3.24Å; L71-I74 VanDerWaalsContact O-N 3.14Å; L71-L82 HydrophobicContact CB-CD2 3.66Å; L71-L82 HydrophobicContact CD1-CD2 4.3Å; L71-F164 HydrophobicContact CB-CE2 4.37Å; L71-F164 HydrophobicContact CD2-CD2 3.63Å; L71-F164 HydrophobicContact CD2-CE2 3.35Å; L71-F164 HydrophobicContact CD2-CZ 4.46Å; L71-F164 HydrophobicContact CG-CE2 4.34Å; L71-G165 WeakPolarHBondContact CD1-O 3.34Å
72H82.1Confident82.5Confident66 Ų6654.2 Ų54.231%0.30627%0.273SS..THydrogen-bonded Turntrans-66.2-18.5-179-168.455.6000113I68 V70 L82 I85I68-H72 WeakPolarHBondContact O-CB 3.39Å; I68-H72 PolarHBondContact O-N 2.75Å; V70-H72 VanDerWaalsContact C-N 3.26Å; V70-H72 PolarHBondContact O-N 3.03Å; H72-L82 HydrophobicContact CB-CD2 4.36Å; H72-L82 PolarHBondContact ND1-O 2.89Å; H72-I85 HydrophobicContact CB-CD1 4.22Å
73R83.7Confident83.6Confident192 Ų19250.6 Ų50.673%0.72525%0.252SS*.THydrogen-bonded Turntrans-90.3-14.4177.5-67.1174.5175.6174.90.2113.3A69 V70 L71 K75A69-R73 WeakPolarHBondContact O-CG 3.41Å; V70-R73 WeakPolarHBondContact O-CB 3.43Å; V70-R73 PolarHBondContact O-N 2.76Å; L71-R73 PolarHBondContact O-N 2.85Å; R73-K75 PolarHBondContact O-N 2.76Å
74I87.1Confident84.7Confident7 Ų746.9 Ų46.94%0.03623%0.233CC..  trans-73.1123-178.4-71.4160.9000109.4V70 L71 I79 Y132 L133 I138 F164V70-I74 PolarHBondContact O-N 2.87Å; L71-I74 HydrophobicContact CD2-CD1 4.28Å; L71-I74 WeakPolarHBondContact O-CB 3.49Å; L71-I74 PolarHBondContact O-N 3.24Å; L71-I74 VanDerWaalsContact O-N 3.14Å; I74-I79 HydrophobicContact CG2-CB 4.38Å; I74-I79 HydrophobicContact CG2-CD1 4.11Å; I74-I79 HydrophobicContact CG2-CG2 3.84Å; I74-Y132 HydrophobicContact CB-CE1 4.27Å; I74-Y132 HydrophobicContact CG1-CE1 4.26Å; I74-Y132 HydrophobicContact CG2-CE1 3.84Å; I74-L133 HydrophobicContact CD1-CD2 3.9Å; I74-L133 HydrophobicContact CG1-CD2 4.44Å; I74-L133 HydrophobicContact CG2-CD2 4.39Å; I74-I138 HydrophobicContact CD1-CD1 3.29Å; I74-I138 HydrophobicContact CG1-CD1 3.94Å; I74-F164 HydrophobicContact CD1-CD2 4.08Å; I74-F164 HydrophobicContact CD1-CE2 3.43Å; I74-F164 VanDerWaalsContact CD1-CE2 3.43Å; I74-F164 HydrophobicContact CD1-CZ 4.22Å; I74-F164 HydrophobicContact CG2-CE2 4.4Å; I74-F164 HydrophobicContact CG2-CZ 4.19Å
75K90.4Very high85.6Confident163 Ų16346.6 Ų46.671%0.70923%0.231SC*.  trans-138.8105176.9-65.4-172.6179.7-175.90108.4R73 Y132R73-K75 PolarHBondContact O-N 2.76Å; K75-Y132 PolarHBondContact N-OH 2.84Å; K75-Y132 VanDerWaalsContact N-OH 3.11Å
76H94.9Very high86.4Confident23 Ų2343.9 Ų43.911%0.10622%0.218CC..  trans-143.5140.3179.1-168.4-90.3000109.6N78 I79 D128 A129 Y132H76-N78 PolarHBondContact ND1-N 2.92Å; H76-N78 VanDerWaalsContact ND1-N 3.14Å; H76-N78 PolarHBondContact O-N 2.85Å; H76-N78 VanDerWaalsContact O-N 3.15Å; H76-I79 HydrophobicContact CB-CB 3.95Å; H76-I79 HydrophobicContact CB-CD1 3.6Å; H76-I79 HydrophobicContact CB-CG1 3.72Å; H76-I79 PolarHBondContact O-N 3.14Å; H76-D128 IonicContact CE1-OD2 3.74Å; H76-D128 PolarHBondContact CE1-OD2 3.2Å; H76-D128 IonicContact NE2-OD2 2.83Å; H76-D128 PolarHBondContact NE2-OD2 3.26Å; H76-A129 VanDerWaalsContact CE1-CA 3.46Å; H76-A129 WeakPolarHBondContact CE1-CA 3.47Å; H76-Y132 HydrophobicContact CB-CD1 4.02Å; H76-Y132 HydrophobicContact CB-CE1 4.31Å; H76-Y132 HydrophobicContact CB-CG 4.29Å; H76-Y132 AromaticContact CD2-CG 3.67Å
77P95.6Very high87.5Confident73 Ų7339.6 Ų39.647%0.47420%0.195SC..THydrogen-bonded Turntrans-58.7-28-178.522.1-34.8000114K158 M160P77-K158 WeakPolarHBondContact O-CD 3.32Å; P77-K158 WeakPolarHBondContact O-CE 3.39Å; P77-K158 PolarHBondContact O-NZ 2.91Å; P77-M160 WeakPolarHBondContact O-CE 3.44Å
78N96.5Very high88.4Confident12 Ų1238.3 Ų38.36%0.06419%0.189CC..THydrogen-bonded Turntrans-107.319.8-178.3-59.699.3000113.6H76 Q125 A129 I159 M160 I161H76-N78 PolarHBondContact ND1-N 2.92Å; H76-N78 VanDerWaalsContact ND1-N 3.14Å; H76-N78 PolarHBondContact O-N 2.85Å; H76-N78 VanDerWaalsContact O-N 3.15Å; N78-Q125 PolarHBondContact ND2-OE1 3.44Å; N78-A129 HydrophobicContact CB-CB 3.95Å; N78-I159 WeakPolarHBondContact CA-O 3.46Å; N78-I159 WeakPolarHBondContact CB-O 3.01Å; N78-I159 PolarHBondContact ND2-O 3.39Å; N78-M160 WeakPolarHBondContact O-CA 3.48Å; N78-I161 PolarHBondContact O-N 3.18Å
79I93.1Very high89Confident1 Ų146.2 Ų46.21%0.00523%0.228CC..BIsolated β-bridgetrans-126.4134.6175.3-58.4176.3000108.9I74 H76 S81 A129 Y132 L133 M160 F164I74-I79 HydrophobicContact CG2-CB 4.38Å; I74-I79 HydrophobicContact CG2-CD1 4.11Å; I74-I79 HydrophobicContact CG2-CG2 3.84Å; H76-I79 HydrophobicContact CB-CB 3.95Å; H76-I79 HydrophobicContact CB-CD1 3.6Å; H76-I79 HydrophobicContact CB-CG1 3.72Å; H76-I79 PolarHBondContact O-N 3.14Å; I79-S81 PolarHBondContact O-N 3.15Å; I79-A129 HydrophobicContact CD1-CB 4.21Å; I79-A129 HydrophobicContact CG1-CB 3.82Å; I79-Y132 HydrophobicContact CD1-CD1 3.87Å; I79-L133 HydrophobicContact CD1-CD1 4.16Å; I79-L133 HydrophobicContact CD1-CD2 3.75Å; I79-L133 HydrophobicContact CD1-CG 3.67Å; I79-M160 WeakPolarHBondContact O-CE 3.37Å; I79-F164 HydrophobicContact CG2-CD1 3.65Å; I79-F164 HydrophobicContact CG2-CE1 3.13Å; I79-F164 HydrophobicContact CG2-CZ 3.64Å
80V90.7Very high89.5Confident7 Ų748.3 Ų48.34%0.04224%0.242CC..  trans-61.7123.2177.7177.90000110.1M96 Q97 V99 M160 I161 F164V80-M96 HydrophobicContact CB-CE 4.3Å; V80-M96 HydrophobicContact CG1-CB 4.06Å; V80-M96 HydrophobicContact CG1-CE 3.67Å; V80-Q97 HydrophobicContact CG1-CB 4.23Å; V80-Q97 WeakPolarHBondContact CG1-O 3.48Å; V80-V99 HydrophobicContact CG2-CG2 3.71Å; V80-M160 HydrophobicContact CG2-CB 4.17Å; V80-I161 WeakPolarHBondContact CG2-O 3.25Å; V80-I161 PolarHBondContact N-O 3.19Å; V80-F164 WeakPolarHBondContact O-CE1 3.27Å
81S89.9Confident90.2Very high36 Ų3648.2 Ų48.225%0.25224%0.237SC..  trans-77.1135.4-177.2-64.50000111.7I79 M96 Q97I79-S81 PolarHBondContact O-N 3.15Å; S81-M96 WeakPolarHBondContact O-CA 3.31Å; S81-Q97 PolarHBondContact O-N 3.41Å
82L90.1Very high90.7Very high16 Ų1648.3 Ų48.38%0.08424%0.238CC..EExtended strand (participates in β ladder)trans-88.3104.9167.8179.561.5000109.2I68 L71 H72 I85 L94 M96I68-L82 HydrophobicContact CG2-CD2 4.04Å; L71-L82 HydrophobicContact CB-CD2 3.66Å; L71-L82 HydrophobicContact CD1-CD2 4.3Å; H72-L82 HydrophobicContact CB-CD2 4.36Å; H72-L82 PolarHBondContact ND1-O 2.89Å; L82-I85 HydrophobicContact CD1-CG1 4.16Å; L82-I85 HydrophobicContact CD2-CD1 3.75Å; L82-I85 HydrophobicContact CD2-CG1 3.94Å; L82-I85 HydrophobicContact CG-CD1 4.19Å; L82-I85 HydrophobicContact CG-CG1 4.2Å; L82-L94 HydrophobicContact CD1-CB 3.71Å; L82-L94 HydrophobicContact CD1-CD2 4.45Å; L82-M96 HydrophobicContact CD1-CG 4.09Å
83E89.5Confident91.2Very high48 Ų4846.2 Ų46.222%0.22423%0.227CC..EExtended strand (participates in β ladder)trans-85.9-42.9-169.2-56.1-176158.600112.3R45 V95R45-E83 IonicContact CZ-OE1 2.71Å; R45-E83 IonicContact CZ-OE2 2.75Å; R45-E83 IonicContact NH1-OE1 2.63Å; R45-E83 PolarHBondContact NH1-OE1 3.14Å; R45-E83 IonicContact NH1-OE2 3.79Å; R45-E83 PolarHBondContact NH1-OE2 3.1Å; R45-E83 IonicContact NH2-OE1 2.66Å; R45-E83 IonicContact NH2-OE2 3.03Å; R45-E83 PolarHBondContact NH2-OE2 3.01Å; E83-V95 PolarHBondContact N-O 3.24Å
84D90.8Very high91.6Very high35 Ų3537.3 Ų37.319%0.18719%0.194CC..EExtended strand (participates in β ladder)trans-150.5153.5-176.3-96.3-36.6000111.1K12 F86 V95K12-D84 WeakPolarHBondContact CE-OD1 3.38Å; K12-D84 IonicContact NZ-OD1 3.56Å; K12-D84 PolarHBondContact NZ-OD1 2.99Å; K12-D84 IonicContact NZ-OD2 2.69Å; K12-D84 PolarHBondContact NZ-OD2 2.87Å; D84-F86 HydrophobicContact CB-CD2 4.43Å; D84-F86 HydrophobicContact CB-CE2 3.92Å; D84-V95 HydrophobicContact CB-CB 3.84Å; D84-V95 HydrophobicContact CB-CG1 4.46Å; D84-V95 HydrophobicContact CB-CG2 4.06Å; D84-V95 PolarHBondContact N-O 2.98Å; D84-V95 WeakPolarHBondContact O-CA 3.49Å; D84-V95 WeakPolarHBondContact O-CB 3.32Å; D84-V95 PolarHBondContact O-N 2.94Å
85I91.7Very high91.9Very high0 Ų037 Ų370%019%0.192CC..EExtended strand (participates in β ladder)trans-127.1128.1174.6-59.8124.7000109.3W10 K11 K12 I68 H72 L82 L92 Y93 L94W10-I85 HydrophobicContact CE3-CB 4.42Å; W10-I85 HydrophobicContact CE3-CD1 3.51Å; W10-I85 HydrophobicContact CE3-CG1 4.46Å; W10-I85 HydrophobicContact CZ3-CB 4.42Å; W10-I85 HydrophobicContact CZ3-CD1 3.78Å; W10-I85 HydrophobicContact CZ3-CG1 4.42Å; W10-I85 HydrophobicContact CZ3-CG2 4.22Å; K11-I85 HydrophobicContact CG-CG2 4.1Å; K12-I85 WeakPolarHBondContact CB-O 3.37Å; K12-I85 PolarHBondContact N-O 3.32Å; I68-I85 HydrophobicContact CG2-CD1 3.43Å; I68-I85 VanDerWaalsContact CG2-CD1 3.43Å; I68-I85 HydrophobicContact CG2-CG1 3.74Å; I68-I85 HydrophobicContact CG2-CG2 4.47Å; H72-I85 HydrophobicContact CB-CD1 4.22Å; L82-I85 HydrophobicContact CD1-CG1 4.16Å; L82-I85 HydrophobicContact CD2-CD1 3.75Å; L82-I85 HydrophobicContact CD2-CG1 3.94Å; L82-I85 HydrophobicContact CG-CD1 4.19Å; L82-I85 HydrophobicContact CG-CG1 4.2Å; I85-L92 HydrophobicContact CG2-CD1 3.87Å; I85-Y93 WeakPolarHBondContact CA-O 3.34Å; I85-L94 HydrophobicContact CG1-CD2 4Å; I85-L94 HydrophobicContact CG2-CD2 4.07Å
86F93.3Very high91.9Very high9 Ų930.4 Ų30.44%0.03916%0.164CC..EExtended strand (participates in β ladder)trans-117.2145.8173.5-68.9-101.7000111K12 T14 I17 H20 Y21 D84 Y93 V95K12-F86 HydrophobicContact CB-CD1 3.73Å; K12-F86 HydrophobicContact CB-CE1 3.86Å; K12-F86 HydrophobicContact CB-CG 4.23Å; K12-F86 HydrophobicContact CB-CZ 4.45Å; K12-F86 HydrophobicContact CD-CD1 4.43Å; K12-F86 HydrophobicContact CD-CE1 3.81Å; K12-F86 HydrophobicContact CD-CE2 4.1Å; K12-F86 HydrophobicContact CD-CZ 3.63Å; K12-F86 HydrophobicContact CG-CE1 4.48Å; K12-F86 CarbonylContact O-C 3.49Å; K12-F86 VanDerWaalsContact O-CA 3.24Å; K12-F86 WeakPolarHBondContact O-CA 3.49Å; T14-F86 HydrophobicContact CG2-CB 3.98Å; T14-F86 HydrophobicContact CG2-CD1 4.08Å; I17-F86 HydrophobicContact CD1-CB 3.58Å; I17-F86 HydrophobicContact CD1-CD1 3.78Å; I17-F86 HydrophobicContact CD1-CD2 3.69Å; I17-F86 HydrophobicContact CD1-CE1 4.35Å; I17-F86 HydrophobicContact CD1-CE2 4.28Å; I17-F86 HydrophobicContact CD1-CG 3.41Å; I17-F86 VanDerWaalsContact CD1-CG 3.41Å; H20-F86 AromaticContact CD2-CE1 3.55Å; H20-F86 AromaticContact CG-CE1 3.93Å; H20-F86 AromaticContact NE2-CE1 3.77Å; Y21-F86 HydrophobicContact CE2-CD2 4.33Å; Y21-F86 AromaticContact CE2-CE2 3.71Å; Y21-F86 HydrophobicContact CE2-CE2 3.71Å; Y21-F86 HydrophobicContact CE2-CZ 4.02Å; D84-F86 HydrophobicContact CB-CD2 4.43Å; D84-F86 HydrophobicContact CB-CE2 3.92Å; F86-Y93 HydrophobicContact CB-CD2 4.14Å; F86-Y93 PolarHBondContact N-O 2.91Å; F86-Y93 PolarHBondContact O-N 3.13Å; F86-V95 HydrophobicContact CD2-CG2 3.84Å; F86-V95 HydrophobicContact CE2-CG2 4.01Å
87E92.4Very high91.7Very high20 Ų2031.1 Ų31.19%0.09317%0.168CC..EExtended strand (participates in β ladder)trans-132.1121.8179.1-170.5-166.8159.400110K11 K12 K13 T14 K54 L92K11-E87 HydrophobicContact CD-CB 4.09Å; K11-E87 HydrophobicContact CD-CG 4.5Å; K11-E87 WeakPolarHBondContact CD-OE2 3.34Å; K11-E87 WeakPolarHBondContact CE-OE2 3.48Å; K11-E87 HydrophobicContact CG-CB 4.03Å; K11-E87 IonicContact NZ-OE2 2.64Å; K11-E87 PolarHBondContact NZ-OE2 3.39Å; K12-E87 PolarHBondContact O-N 2.69Å; K13-E87 WeakPolarHBondContact CA-O 3.5Å; K13-E87 HydrophobicContact CD-CB 4.34Å; K13-E87 IonicContact NZ-OE1 3.54Å; K13-E87 PolarHBondContact NZ-OE1 3.32Å; K13-E87 IonicContact NZ-OE2 2.98Å; K13-E87 PolarHBondContact NZ-OE2 3.49Å; T14-E87 PolarHBondContact N-O 3.4Å; K54-E87 VanDerWaalsContact CE-OE1 3.26Å; K54-E87 WeakPolarHBondContact CE-OE1 3.19Å; K54-E87 IonicContact NZ-OE1 3.57Å; K54-E87 PolarHBondContact NZ-OE1 2.72Å; E87-L92 HydrophobicContact CB-CD1 4.08Å; E87-L92 HydrophobicContact CG-CD1 4.16Å
88S92.3Very high91.5Very high4 Ų429.5 Ų29.53%0.02816%0.155CC..  trans-102.9-176.1169760000110.8T14 K54 S90 H91T14-S88 VanDerWaalsContact O-CA 3.31Å; T14-S88 WeakPolarHBondContact O-CA 3.47Å; T14-S88 WeakPolarHBondContact O-CB 3.35Å; K54-S88 VanDerWaalsContact CE-O 3.25Å; K54-S88 WeakPolarHBondContact CE-O 3.41Å; K54-S88 PolarHBondContact NZ-O 2.66Å; S88-S90 PolarHBondContact O-N 3.43Å; S88-S90 PolarHBondContact OG-N 3.28Å; S88-H91 PolarHBondContact N-O 3.5Å; S88-H91 PolarHBondContact OG-N 2.81Å; S88-H91 VanDerWaalsContact OG-N 3.1Å; S88-H91 PolarHBondContact OG-O 3.46Å
89M89.8Confident91.2Very high168 Ų16830.1 Ų30.183%0.82816%0.159SC*.SBendtrans-69.6-25179.6-136.446.549.700113.1
90S90.1Very high90.8Very high67 Ų6733.5 Ų33.547%0.46918%0.183SC..SBendtrans-114.8-18.7-17654.90000114.3K54 S88K54-S90 WeakPolarHBondContact CB-O 3.46Å; K54-S90 PolarHBondContact N-O 2.99Å; S88-S90 PolarHBondContact O-N 3.43Å; S88-S90 PolarHBondContact OG-N 3.28Å
91H91.3Very high90.6Very high57 Ų5733.1 Ų33.126%0.26418%0.181SC..EExtended strand (participates in β ladder)trans-138.2157.2-172.2-6778.6000112.8I52 S88 Y93I52-H91 CarbonylContact O-C 3.29Å; I52-H91 VanDerWaalsContact O-CA 3.31Å; I52-H91 WeakPolarHBondContact O-CA 3.49Å; S88-H91 PolarHBondContact N-O 3.5Å; S88-H91 PolarHBondContact OG-N 2.81Å; S88-H91 VanDerWaalsContact OG-N 3.1Å; S88-H91 PolarHBondContact OG-O 3.46Å; H91-Y93 HydrophobicContact CB-CD2 4.42Å; H91-Y93 HydrophobicContact CB-CE1 3.96Å; H91-Y93 HydrophobicContact CB-CE2 3.69Å; H91-Y93 VanDerWaalsContact CB-CZ 3.43Å; H91-Y93 WeakPolarHBondContact CB-OH 3.43Å
92L90.3Very high90.3Very high11 Ų1132.9 Ų32.96%0.05818%0.184CC..EExtended strand (participates in β ladder)trans-112.8134.8164.3-171.466.1000108.2K11 I52 L57 I64 I68 I85 E87 L94K11-L92 HydrophobicContact CD-CD1 4.38Å; I52-L92 HydrophobicContact CB-CB 4.41Å; I52-L92 PolarHBondContact N-O 2.77Å; I52-L92 PolarHBondContact O-N 3.06Å; L57-L92 HydrophobicContact CD1-CD2 4.25Å; I64-L92 HydrophobicContact CD1-CD2 3.98Å; I68-L92 HydrophobicContact CD1-CD2 3.3Å; I68-L92 HydrophobicContact CD1-CG 4.33Å; I85-L92 HydrophobicContact CG2-CD1 3.87Å; E87-L92 HydrophobicContact CB-CD1 4.08Å; E87-L92 HydrophobicContact CG-CD1 4.16Å; L92-L94 HydrophobicContact CD2-CD2 4.47Å; L92-L94 HydrophobicContact CG-CD2 4.31Å
93Y92.1Very high90Very high22 Ų2235.7 Ų35.79%0.08620%0.197CC..EExtended strand (participates in β ladder)trans-121.6118.9-177.5-53.3-85.1000109.1I17 I49 K50 C51 I85 F86 H91I17-Y93 HydrophobicContact CB-CD1 4.31Å; I17-Y93 HydrophobicContact CB-CD2 4.04Å; I17-Y93 HydrophobicContact CB-CE1 4.2Å; I17-Y93 HydrophobicContact CB-CE2 3.91Å; I17-Y93 HydrophobicContact CB-CG 4.23Å; I17-Y93 HydrophobicContact CD1-CD2 4.49Å; I17-Y93 HydrophobicContact CD1-CG 4.48Å; I17-Y93 HydrophobicContact CG1-CD1 4.24Å; I17-Y93 HydrophobicContact CG1-CD2 4.24Å; I17-Y93 HydrophobicContact CG1-CG 4.05Å; I17-Y93 HydrophobicContact CG2-CD1 4.03Å; I17-Y93 HydrophobicContact CG2-CD2 4.49Å; I17-Y93 HydrophobicContact CG2-CE1 3.59Å; I17-Y93 HydrophobicContact CG2-CE2 4.08Å; I17-Y93 HydrophobicContact CG2-CG 4.46Å; I49-Y93 HydrophobicContact CG2-CD1 4.13Å; K50-Y93 WeakPolarHBondContact O-CA 3.41Å; C51-Y93 HydrophobicContact CB-CD1 4.12Å; C51-Y93 HydrophobicContact CB-CE1 4.21Å; I85-Y93 WeakPolarHBondContact CA-O 3.34Å; F86-Y93 HydrophobicContact CB-CD2 4.14Å; F86-Y93 PolarHBondContact N-O 2.91Å; F86-Y93 PolarHBondContact O-N 3.13Å; H91-Y93 HydrophobicContact CB-CD2 4.42Å; H91-Y93 HydrophobicContact CB-CE1 3.96Å; H91-Y93 HydrophobicContact CB-CE2 3.69Å; H91-Y93 VanDerWaalsContact CB-CZ 3.43Å; H91-Y93 WeakPolarHBondContact CB-OH 3.43Å
94L91.3Very high89.9Confident5 Ų533.4 Ų33.43%0.02619%0.186CC..EExtended strand (participates in β ladder)trans-100.4109.8174.9-50.2-176.6000107.9I49 K50 I52 I68 L82 I85 L92 M96I49-L94 WeakPolarHBondContact CA-O 3.38Å; K50-L94 HydrophobicContact CB-CB 4.19Å; K50-L94 PolarHBondContact N-O 3.22Å; K50-L94 PolarHBondContact O-N 2.94Å; I52-L94 HydrophobicContact CD1-CD1 3.86Å; I52-L94 HydrophobicContact CD1-CG 4.09Å; I68-L94 HydrophobicContact CD1-CD2 3.95Å; I68-L94 HydrophobicContact CG1-CD2 4.34Å; I68-L94 HydrophobicContact CG2-CD2 4.32Å; L82-L94 HydrophobicContact CD1-CB 3.71Å; L82-L94 HydrophobicContact CD1-CD2 4.45Å; I85-L94 HydrophobicContact CG1-CD2 4Å; I85-L94 HydrophobicContact CG2-CD2 4.07Å; L92-L94 HydrophobicContact CD2-CD2 4.47Å; L92-L94 HydrophobicContact CG-CD2 4.31Å; L94-M96 HydrophobicContact CB-CG 4.43Å
95V92.9Very high89.7Confident0 Ų032 Ų320%018%0.178CC..EExtended strand (participates in β ladder)trans-86.5114.1177.7-175.80000108Y21 V47 I49 E83 D84 F86Y21-V95 HydrophobicContact CE1-CG1 4.24Å; Y21-V95 HydrophobicContact CE2-CG2 4.11Å; V47-V95 HydrophobicContact CB-CG1 3.92Å; V47-V95 HydrophobicContact CG1-CG1 4.02Å; V47-V95 HydrophobicContact CG2-CG1 3.94Å; I49-V95 HydrophobicContact CD1-CG2 4.44Å; I49-V95 HydrophobicContact CG1-CG2 4.35Å; E83-V95 PolarHBondContact N-O 3.24Å; D84-V95 HydrophobicContact CB-CB 3.84Å; D84-V95 HydrophobicContact CB-CG1 4.46Å; D84-V95 HydrophobicContact CB-CG2 4.06Å; D84-V95 PolarHBondContact N-O 2.98Å; D84-V95 WeakPolarHBondContact O-CA 3.49Å; D84-V95 WeakPolarHBondContact O-CB 3.32Å; D84-V95 PolarHBondContact O-N 2.94Å; F86-V95 HydrophobicContact CD2-CG2 3.84Å; F86-V95 HydrophobicContact CE2-CG2 4.01Å
96M92Very high89.4Confident24 Ų2436.3 Ų36.312%0.11820%0.201CC..EExtended strand (participates in β ladder)trans-118152.1-171-61.2172.96500110.3A48 K50 V80 S81 L82 L94 L98A48-M96 PolarHBondContact N-O 2.89Å; A48-M96 PolarHBondContact O-N 3.27Å; K50-M96 HydrophobicContact CB-SD 4.24Å; V80-M96 HydrophobicContact CB-CE 4.3Å; V80-M96 HydrophobicContact CG1-CB 4.06Å; V80-M96 HydrophobicContact CG1-CE 3.67Å; S81-M96 WeakPolarHBondContact O-CA 3.31Å; L82-M96 HydrophobicContact CD1-CG 4.09Å; L94-M96 HydrophobicContact CB-CG 4.43Å; M96-L98 PolarHBondContact O-N 3.14Å
97Q91.1Very high89.1Confident38 Ų3837.2 Ų37.218%0.17820%0.204CC..EExtended strand (participates in β ladder)trans-54.4129.5169.4179179.127.400110.1V80 S81 Y151V80-Q97 HydrophobicContact CG1-CB 4.23Å; V80-Q97 WeakPolarHBondContact CG1-O 3.48Å; S81-Q97 PolarHBondContact O-N 3.41Å; Q97-Y151 VanDerWaalsContact NE2-CE2 3.34Å
98L90.8Very high88.9Confident39 Ų3936.2 Ų36.220%0.20420%0.2CC..  trans-73131.8174.7-177.965.9000110.4L27 L37 L46 A48 M96L27-L98 HydrophobicContact CD1-CD1 3.87Å; L37-L98 HydrophobicContact CD1-CD1 3.81Å; L37-L98 HydrophobicContact CD1-CD2 3.58Å; L37-L98 HydrophobicContact CD1-CG 4.33Å; L46-L98 HydrophobicContact CB-CD2 3.71Å; L46-L98 HydrophobicContact CD1-CD2 4.39Å; A48-L98 HydrophobicContact CB-CD1 4.25Å; M96-L98 PolarHBondContact O-N 3.14Å
99V89.3Confident88.7Confident25 Ų2537.4 Ų37.415%0.15221%0.207CC..  trans-119.7125.3174.41760000107.9V80 L149 Y150 M160V80-V99 HydrophobicContact CG2-CG2 3.71Å; V99-L149 HydrophobicContact CG1-CB 3.53Å; V99-L149 HydrophobicContact CG1-CD1 4.37Å; V99-Y150 WeakPolarHBondContact CG1-O 3.46Å; V99-M160 HydrophobicContact CG1-CB 4.31Å; V99-M160 HydrophobicContact CG1-CG 4.24Å; V99-M160 HydrophobicContact CG2-CB 4.2Å; V99-M160 HydrophobicContact CG2-CG 4.09Å
100S86.1Confident88.5Confident72 Ų7235.8 Ų35.850%0.50320%0.197SC..  trans-132.65.8-164.961.70000114.8G102 Y151S100-G102 VanDerWaalsContact C-N 3.25Å; S100-G102 PolarHBondContact O-N 3.28Å; S100-Y151 PolarHBondContact N-O 3.45Å
101G84.8Confident88.1Confident0 Ų035.2 Ų35.20%019%0.186CC..SBendtrans-79.8-0.7179.400000115.3R107 Y150 Y151 S152G101-R107 VanDerWaalsContact O-CD 3.31Å; G101-R107 WeakPolarHBondContact O-CD 3.44Å; G101-Y150 WeakPolarHBondContact CA-O 3.3Å; G101-Y150 PolarHBondContact N-O 3.45Å; G101-Y151 PolarHBondContact N-O 3.06Å; G101-S152 WeakPolarHBondContact CA-O 3.49Å
102G84.3Confident87.9Confident31 Ų3135.8 Ų35.832%0.3221%0.207SC..  trans80.4-179.6179.600000113.9S100 L149 Y150S100-G102 VanDerWaalsContact C-N 3.25Å; S100-G102 PolarHBondContact O-N 3.28Å; G102-L149 WeakPolarHBondContact O-CA 3.39Å; G102-Y150 PolarHBondContact O-N 3.08Å
103E84.6Confident87.9Confident75 Ų7540.7 Ų40.735%0.3523%0.228SC..BIsolated β-bridgetrans-76.2153.3-175.4-68.3177.9-149.600112.9F105 D106 R107 L149E103-F105 PolarHBondContact O-N 3.29Å; E103-D106 PolarHBondContact O-N 2.85Å; E103-R107 VanDerWaalsContact O-CG 3.32Å; E103-R107 WeakPolarHBondContact O-CG 3.26Å; E103-R107 PolarHBondContact O-N 2.82Å; E103-L149 HydrophobicContact CB-CD2 4.45Å; E103-L149 HydrophobicContact CG-CD2 3.78Å
104L87.1Confident88.1Confident0 Ų039.8 Ų39.80%023%0.225CC..Hα-helixtrans-48.4-53.8179.7174.855000113.8I108 L122 L148 Y150 I159 I208 L212L104-I108 HydrophobicContact CD1-CD1 4.14Å; L104-I108 PolarHBondContact O-N 3.33Å; L104-L122 HydrophobicContact CD1-CD1 3.22Å; L104-L122 HydrophobicContact CD1-CD2 3.82Å; L104-L122 HydrophobicContact CD1-CG 4.13Å; L104-L122 HydrophobicContact CD2-CD2 4.19Å; L104-L148 HydrophobicContact CB-CB 4.19Å; L104-L148 HydrophobicContact CD2-CB 4.17Å; L104-L148 HydrophobicContact CD2-CD1 3.75Å; L104-L148 PolarHBondContact N-O 3.22Å; L104-L148 VanDerWaalsContact N-O 3.12Å; L104-Y150 HydrophobicContact CD1-CE2 4.06Å; L104-I159 HydrophobicContact CD1-CD1 4.29Å; L104-I208 HydrophobicContact CD2-CG2 4.23Å; L104-L212 HydrophobicContact CD1-CD2 4.07Å; L104-L212 HydrophobicContact CD2-CD2 4.09Å; L104-L212 HydrophobicContact CG-CD2 4.15Å
105F86.2Confident88.4Confident6 Ų639.7 Ų39.73%0.02623%0.225CC..Hα-helixtrans-79.6-32.6-172-68.6-43.8000113.9E103 R107 I108 V109 P145 I211 L212 I295 F299E103-F105 PolarHBondContact O-N 3.29Å; F105-R107 PolarHBondContact O-N 2.85Å; F105-I108 HydrophobicContact CD1-CD1 4.17Å; F105-I108 PolarHBondContact O-N 2.87Å; F105-V109 WeakPolarHBondContact O-CB 3.31Å; F105-V109 PolarHBondContact O-N 3.25Å; F105-P145 HydrophobicContact CD2-CB 3.6Å; F105-P145 HydrophobicContact CD2-CG 3.94Å; F105-P145 HydrophobicContact CE2-CB 3.34Å; F105-P145 HydrophobicContact CE2-CG 3.16Å; F105-P145 HydrophobicContact CZ-CB 4.17Å; F105-P145 HydrophobicContact CZ-CG 3.84Å; F105-I211 HydrophobicContact CE1-CB 4.28Å; F105-I211 HydrophobicContact CE1-CG2 3.63Å; F105-I211 HydrophobicContact CE2-CG2 3.87Å; F105-I211 HydrophobicContact CZ-CB 3.77Å; F105-I211 HydrophobicContact CZ-CD1 4.4Å; F105-I211 HydrophobicContact CZ-CG2 3.24Å; F105-L212 HydrophobicContact CD1-CD2 4.34Å; F105-L212 HydrophobicContact CE1-CD2 3.79Å; F105-L212 HydrophobicContact CE1-CG 4.24Å; F105-I295 HydrophobicContact CB-CD1 4.47Å; F105-I295 HydrophobicContact CB-CG2 3.98Å; F105-I295 HydrophobicContact CD1-CD1 3.85Å; F105-I295 HydrophobicContact CG-CD1 4.42Å; F105-F299 HydrophobicContact CD2-CD1 4.45Å; F105-F299 AromaticContact CD2-CE1 3.44Å; F105-F299 HydrophobicContact CD2-CE1 3.44Å; F105-F299 VanDerWaalsContact CD2-CE1 3.44Å; F105-F299 HydrophobicContact CD2-CE2 4.08Å; F105-F299 AromaticContact CD2-CZ 3.2Å; F105-F299 HydrophobicContact CD2-CZ 3.2Å; F105-F299 AromaticContact CE2-CE1 3.87Å; F105-F299 HydrophobicContact CE2-CE1 3.87Å; F105-F299 HydrophobicContact CE2-CE2 4.29Å; F105-F299 AromaticContact CE2-CZ 3.33Å; F105-F299 HydrophobicContact CE2-CZ 3.33Å; F105-F299 HydrophobicContact CG-CE1 4.39Å; F105-F299 HydrophobicContact CG-CZ 4.04Å; F105-F299 HydrophobicContact CZ-CZ 4.31Å
106D85.6Confident88.6Confident89 Ų8939.8 Ų39.848%0.47623%0.225SC..Hα-helixtrans-59.5-42.1173.1-78.4-12.9000110.3E103 I108 V109 E110E103-D106 PolarHBondContact O-N 2.85Å; D106-I108 PolarHBondContact O-N 3.2Å; D106-V109 WeakPolarHBondContact O-CB 3.47Å; D106-V109 PolarHBondContact O-N 3.21Å; D106-E110 WeakPolarHBondContact O-CG 3.45Å; D106-E110 PolarHBondContact O-N 2.9Å
107R86.5Confident88.9Confident28 Ų2841.8 Ų41.811%0.10623%0.231CC..Hα-helixtrans-63.9-39.8176.8-72.4-76.6-66.7-165.9-1.3112.8G101 E103 F105 V109 E110 K111 Y150 M153 D154G101-R107 VanDerWaalsContact O-CD 3.31Å; G101-R107 WeakPolarHBondContact O-CD 3.44Å; E103-R107 VanDerWaalsContact O-CG 3.32Å; E103-R107 WeakPolarHBondContact O-CG 3.26Å; E103-R107 PolarHBondContact O-N 2.82Å; F105-R107 PolarHBondContact O-N 2.85Å; R107-V109 VanDerWaalsContact C-N 3.31Å; R107-E110 PolarHBondContact O-N 3.41Å; R107-K111 WeakPolarHBondContact O-CG 3.48Å; R107-K111 PolarHBondContact O-N 2.97Å; R107-Y150 HydrophobicContact CB-CD2 3.82Å; R107-Y150 HydrophobicContact CB-CE2 3.51Å; R107-Y150 HydrophobicContact CG-CD2 3.52Å; R107-Y150 HydrophobicContact CG-CE2 3.8Å; R107-Y150 HydrophobicContact CG-CG 4.26Å; R107-M153 VanDerWaalsContact NH1-C 3.33Å; R107-M153 PolarHBondContact NH1-O 3.1Å; R107-M153 PolarHBondContact NH2-O 2.83Å; R107-D154 PolarHBondContact NH2-O 3.15Å
108I88.3Confident89.1Confident0 Ų042 Ų420%023%0.234CC..Hα-helixtrans-65.4-38.9175.3-68.3169.1000110.8L104 F105 D106 E110 K111 Y114 L212 H288 V291 I295L104-I108 HydrophobicContact CD1-CD1 4.14Å; L104-I108 PolarHBondContact O-N 3.33Å; F105-I108 HydrophobicContact CD1-CD1 4.17Å; F105-I108 PolarHBondContact O-N 2.87Å; D106-I108 PolarHBondContact O-N 3.2Å; I108-E110 VanDerWaalsContact C-N 3.31Å; I108-E110 PolarHBondContact O-N 3.36Å; I108-K111 PolarHBondContact O-N 3.25Å; I108-Y114 HydrophobicContact CD1-CE2 3.98Å; I108-Y114 HydrophobicContact CG1-CD2 4.32Å; I108-Y114 HydrophobicContact CG1-CE2 3.93Å; I108-Y114 HydrophobicContact CG2-CD1 4.21Å; I108-Y114 HydrophobicContact CG2-CD2 4.34Å; I108-Y114 HydrophobicContact CG2-CE1 4.32Å; I108-Y114 HydrophobicContact CG2-CE2 4.43Å; I108-Y114 HydrophobicContact CG2-CG 4.21Å; I108-L212 HydrophobicContact CD1-CD2 3.22Å; I108-H288 PolarHBondContact O-CD2 2.91Å; I108-H288 PolarHBondContact O-NE2 3.16Å; I108-V291 HydrophobicContact CG2-CG1 4.2Å; I108-I295 HydrophobicContact CB-CD1 4.33Å; I108-I295 HydrophobicContact CG2-CD1 3.9Å
109V88.2Confident89.4Confident29 Ų2940.1 Ų40.118%0.17622%0.224CC..Hα-helixtrans-65.5-33.2178150.90000113.2F105 D106 R107 I295 K296F105-V109 WeakPolarHBondContact O-CB 3.31Å; F105-V109 PolarHBondContact O-N 3.25Å; D106-V109 WeakPolarHBondContact O-CB 3.47Å; D106-V109 PolarHBondContact O-N 3.21Å; R107-V109 VanDerWaalsContact C-N 3.31Å; V109-I295 HydrophobicContact CG2-CB 3.87Å; V109-I295 HydrophobicContact CG2-CG2 3.48Å; V109-I295 VanDerWaalsContact CG2-CG2 3.48Å; V109-K296 HydrophobicContact CG1-CD 4.37Å; V109-K296 HydrophobicContact CG1-CG 4.13Å; V109-K296 HydrophobicContact CG2-CG 4.01Å
110E87.1Confident89.9Confident134 Ų13439.3 Ų39.363%0.62622%0.219SC*.Hα-helixtrans-83-15.4179-71.4-179170.400113.6D106 R107 I108D106-E110 WeakPolarHBondContact O-CG 3.45Å; D106-E110 PolarHBondContact O-N 2.9Å; R107-E110 PolarHBondContact O-N 3.41Å; I108-E110 VanDerWaalsContact C-N 3.31Å; I108-E110 PolarHBondContact O-N 3.36Å
111K81.3Confident90.4Very high55 Ų5541.1 Ų41.124%0.23922%0.219CC..  trans-63.5159.8173.5-77.9-173.6177.2-155.90110.6R107 I108 Y114 H288R107-K111 WeakPolarHBondContact O-CG 3.48Å; R107-K111 PolarHBondContact O-N 2.97Å; I108-K111 PolarHBondContact O-N 3.25Å; K111-Y114 HydrophobicContact CD-CD2 4.26Å; K111-H288 PolarHBondContact O-CE1 2.98Å; K111-H288 PolarHBondContact O-NE2 2.85Å
112G85.5Confident91Very high69 Ų6941.5 Ų41.571%0.71122%0.221SC*.SBendtrans-101.7-14.4167.600000112.9
113F91.8Very high91.6Very high114 Ų11440 Ų4050%0.521%0.206SC..  trans-150.1134-172-173-89.8000108.8T115 N286F113-T115 HydrophobicContact CD1-CG2 4.08Å; F113-T115 HydrophobicContact CE1-CG2 3.25Å; F113-T115 HydrophobicContact CZ-CG2 3.6Å; F113-N286 HydrophobicContact CD2-CB 3.9Å; F113-N286 WeakPolarHBondContact CD2-ND2 3.37Å; F113-N286 HydrophobicContact CE2-CB 3.57Å; F113-N286 HydrophobicContact CZ-CB 4.21Å
114Y95.6Very high92.3Very high2 Ų240.1 Ų40.11%0.00821%0.207CC..  trans-160.7133.1-176.2-179.8-101.9000109.4I108 K111 D118 A119 L212 N286 I287 H288 V291I108-Y114 HydrophobicContact CD1-CE2 3.98Å; I108-Y114 HydrophobicContact CG1-CD2 4.32Å; I108-Y114 HydrophobicContact CG1-CE2 3.93Å; I108-Y114 HydrophobicContact CG2-CD1 4.21Å; I108-Y114 HydrophobicContact CG2-CD2 4.34Å; I108-Y114 HydrophobicContact CG2-CE1 4.32Å; I108-Y114 HydrophobicContact CG2-CE2 4.43Å; I108-Y114 HydrophobicContact CG2-CG 4.21Å; K111-Y114 HydrophobicContact CD-CD2 4.26Å; Y114-D118 WeakPolarHBondContact CA-OD2 3.45Å; Y114-D118 HydrophobicContact CD2-CB 3.7Å; Y114-D118 HydrophobicContact CE2-CB 3.68Å; Y114-A119 VanDerWaalsContact OH-CB 3.26Å; Y114-A119 WeakPolarHBondContact OH-CB 3.5Å; Y114-L212 WeakPolarHBondContact CE1-O 3.26Å; Y114-L212 PolarHBondContact OH-O 3.11Å; Y114-L212 VanDerWaalsContact OH-O 3.06Å; Y114-N286 PolarHBondContact N-OD1 2.59Å; Y114-N286 PolarHBondContact O-OD1 3.23Å; Y114-I287 HydrophobicContact CD1-CD1 4.32Å; Y114-I287 HydrophobicContact CD1-CG1 4.01Å; Y114-I287 HydrophobicContact CE1-CD1 4.25Å; Y114-I287 HydrophobicContact CE1-CG1 4.45Å; Y114-I287 WeakPolarHBondContact O-CG1 3.42Å; Y114-I287 PolarHBondContact O-N 2.79Å; Y114-H288 PolarHBondContact O-N 2.88Å; Y114-V291 HydrophobicContact CE1-CG1 4.35Å
115T97.3Very high92.8Very high4 Ų442.5 Ų42.53%0.02522%0.218CC..  trans-128.1170-170.363.30000111.5F113 R117 D118 A119 D284F113-T115 HydrophobicContact CD1-CG2 4.08Å; F113-T115 HydrophobicContact CE1-CG2 3.25Å; F113-T115 HydrophobicContact CZ-CG2 3.6Å; T115-R117 PolarHBondContact O-N 3.43Å; T115-R117 PolarHBondContact OG1-N 3.18Å; T115-D118 PolarHBondContact N-OD2 2.84Å; T115-D118 PolarHBondContact O-N 3.17Å; T115-D118 PolarHBondContact OG1-N 2.78Å; T115-D118 VanDerWaalsContact OG1-N 3.12Å; T115-D118 PolarHBondContact OG1-OD2 2.9Å; T115-A119 PolarHBondContact O-N 2.89Å; T115-D284 WeakPolarHBondContact CG2-O 3.19Å
116E97.7Very high93.4Very high1 Ų142.3 Ų42.31%0.00522%0.217CC..Hα-helixtrans-62.5-32.9168.7-61.9-173.8-156.800111.9D118 A119 S120 L213 I246 S247 W276 A282 L283 I287E116-D118 VanDerWaalsContact C-N 3.32Å; E116-D118 PolarHBondContact O-N 2.69Å; E116-A119 WeakPolarHBondContact O-CB 3.46Å; E116-A119 PolarHBondContact O-N 3.43Å; E116-S120 WeakPolarHBondContact O-CB 3.19Å; E116-S120 PolarHBondContact O-N 3.49Å; E116-L213 HydrophobicContact CB-CD2 4.22Å; E116-L213 HydrophobicContact CG-CD2 3.91Å; E116-I246 HydrophobicContact CG-CD1 4.25Å; E116-I246 WeakPolarHBondContact OE1-CA 3.39Å; E116-S247 PolarHBondContact OE1-N 3.46Å; E116-S247 WeakPolarHBondContact OE2-CB 3.21Å; E116-S247 PolarHBondContact OE2-OG 3.2Å; E116-W276 PolarHBondContact OE2-NE1 3.18Å; E116-A282 HydrophobicContact CB-CB 4.35Å; E116-L283 HydrophobicContact CB-CB 4.5Å; E116-L283 WeakPolarHBondContact CB-O 3.21Å; E116-L283 HydrophobicContact CG-CB 4.29Å; E116-L283 PolarHBondContact N-O 3.3Å; E116-L283 WeakPolarHBondContact OE1-CD1 3.45Å; E116-L283 PolarHBondContact OE2-N 3.29Å; E116-I287 HydrophobicContact CG-CD1 4.34Å
117R97.7Very high94Very high67 Ų6738 Ų3825%0.25319%0.194SC..Hα-helixtrans-62.7-40.6177.4-169.4177.1-59.8-81.3-1.2111.5T115 A119 S120 Q121 A282 L283 D284T115-R117 PolarHBondContact O-N 3.43Å; T115-R117 PolarHBondContact OG1-N 3.18Å; R117-A119 VanDerWaalsContact C-N 3.34Å; R117-S120 PolarHBondContact O-N 3.31Å; R117-Q121 VanDerWaalsContact O-CG 3.31Å; R117-Q121 WeakPolarHBondContact O-CG 3.34Å; R117-Q121 PolarHBondContact O-N 2.77Å; R117-A282 HydrophobicContact CB-CB 4.45Å; R117-A282 PolarHBondContact NH2-O 3.13Å; R117-L283 PolarHBondContact N-O 2.93Å; R117-D284 WeakPolarHBondContact CD-OD1 3.37Å; R117-D284 IonicContact CZ-OD1 3.33Å; R117-D284 IonicContact CZ-OD2 3.16Å; R117-D284 IonicContact NE-OD1 3.44Å; R117-D284 PolarHBondContact NE-OD1 3.28Å; R117-D284 IonicContact NE-OD2 2.73Å; R117-D284 PolarHBondContact NE-OD2 3.43Å; R117-D284 IonicContact NH2-OD1 2.7Å; R117-D284 IonicContact NH2-OD2 2.83Å; R117-D284 PolarHBondContact NH2-OD2 3.23Å
118D96.3Very high94.6Very high42 Ų4239.6 Ų39.623%0.22520%0.204CC..Hα-helixtrans-60-45.3172.7-63.9-65.2000111.2Y114 T115 E116 Q121 L122Y114-D118 WeakPolarHBondContact CA-OD2 3.45Å; Y114-D118 HydrophobicContact CD2-CB 3.7Å; Y114-D118 HydrophobicContact CE2-CB 3.68Å; T115-D118 PolarHBondContact N-OD2 2.84Å; T115-D118 PolarHBondContact O-N 3.17Å; T115-D118 PolarHBondContact OG1-N 2.78Å; T115-D118 VanDerWaalsContact OG1-N 3.12Å; T115-D118 PolarHBondContact OG1-OD2 2.9Å; E116-D118 VanDerWaalsContact C-N 3.32Å; E116-D118 PolarHBondContact O-N 2.69Å; D118-Q121 PolarHBondContact O-N 3.37Å; D118-L122 WeakPolarHBondContact O-CB 3.26Å; D118-L122 PolarHBondContact O-N 3.29Å; D118-L122 VanDerWaalsContact O-N 3.13Å
119A97.3Very high95Very high0 Ų039.6 Ų39.60%020%0.204CC..Hα-helixtrans-61.8-46.1177.600000111.7Y114 T115 E116 R117 L122 I123 L212 L213 W276Y114-A119 VanDerWaalsContact OH-CB 3.26Å; Y114-A119 WeakPolarHBondContact OH-CB 3.5Å; T115-A119 PolarHBondContact O-N 2.89Å; E116-A119 WeakPolarHBondContact O-CB 3.46Å; E116-A119 PolarHBondContact O-N 3.43Å; R117-A119 VanDerWaalsContact C-N 3.34Å; A119-L122 WeakPolarHBondContact O-CB 3.36Å; A119-L122 PolarHBondContact O-N 3.45Å; A119-I123 WeakPolarHBondContact O-CG1 3.31Å; A119-I123 PolarHBondContact O-N 3.44Å; A119-L212 HydrophobicContact CB-CB 4.3Å; A119-L213 HydrophobicContact CB-CD2 3.85Å; A119-W276 HydrophobicContact CB-CH2 4.24Å; A119-W276 HydrophobicContact CB-CZ2 4.18Å
120S98.5Very high95.3Very high7 Ų738.2 Ų38.25%0.04920%0.196CC..Hα-helixtrans-60.7-46.4178.8169.20000111.9E116 R117 L122 I123 H124 W276E116-S120 WeakPolarHBondContact O-CB 3.19Å; E116-S120 PolarHBondContact O-N 3.49Å; R117-S120 PolarHBondContact O-N 3.31Å; S120-L122 VanDerWaalsContact C-N 3.25Å; S120-L122 PolarHBondContact O-N 2.94Å; S120-I123 PolarHBondContact O-N 2.9Å; S120-H124 WeakPolarHBondContact O-CB 3.25Å; S120-H124 PolarHBondContact O-N 3.43Å; S120-W276 WeakPolarHBondContact CB-O 3.42Å; S120-W276 PolarHBondContact OG-O 3.37Å
121Q96.9Very high95.8Very high110 Ų11034 Ų3451%0.51418%0.176SC..Hα-helixtrans-62.1-33.8176.7-73.4175.5-7.300112.8R117 D118 Q125R117-Q121 VanDerWaalsContact O-CG 3.31Å; R117-Q121 WeakPolarHBondContact O-CG 3.34Å; R117-Q121 PolarHBondContact O-N 2.77Å; D118-Q121 PolarHBondContact O-N 3.37Å; Q121-Q125 PolarHBondContact O-N 3.09Å; Q121-Q125 PolarHBondContact O-NE2 3.09Å
122L96.8Very high96.5Very high8 Ų834.1 Ų34.14%0.04218%0.175CC..Hα-helixtrans-70.8-47175.9-164.7148000111.3L104 D118 A119 S120 H124 Q125 I126 Y150 L212L104-L122 HydrophobicContact CD1-CD1 3.22Å; L104-L122 HydrophobicContact CD1-CD2 3.82Å; L104-L122 HydrophobicContact CD1-CG 4.13Å; L104-L122 HydrophobicContact CD2-CD2 4.19Å; D118-L122 WeakPolarHBondContact O-CB 3.26Å; D118-L122 PolarHBondContact O-N 3.29Å; D118-L122 VanDerWaalsContact O-N 3.13Å; A119-L122 WeakPolarHBondContact O-CB 3.36Å; A119-L122 PolarHBondContact O-N 3.45Å; S120-L122 VanDerWaalsContact C-N 3.25Å; S120-L122 PolarHBondContact O-N 2.94Å; L122-H124 VanDerWaalsContact C-N 3.28Å; L122-H124 PolarHBondContact O-N 2.9Å; L122-Q125 PolarHBondContact O-N 2.9Å; L122-I126 HydrophobicContact CD2-CD1 3.48Å; L122-I126 VanDerWaalsContact CD2-CD1 3.48Å; L122-I126 HydrophobicContact CD2-CG1 4.24Å; L122-I126 WeakPolarHBondContact O-CG1 3.49Å; L122-I126 PolarHBondContact O-N 3.15Å; L122-I126 VanDerWaalsContact O-N 3.13Å; L122-Y150 WeakPolarHBondContact CD1-OH 3.36Å; L122-L212 HydrophobicContact CD2-CD1 3.91Å
123I98.4Very high96.7Very high0 Ų030.9 Ų30.90%014%0.141CC..Hα-helixtrans-62.2-36.9175.8-67.6-56.6000111.2A119 S120 Q125 I126 L127 I205 I208 S209 L212 F253 W276 I277A119-I123 WeakPolarHBondContact O-CG1 3.31Å; A119-I123 PolarHBondContact O-N 3.44Å; S120-I123 PolarHBondContact O-N 2.9Å; I123-Q125 PolarHBondContact O-N 3.46Å; I123-I126 HydrophobicContact CD1-CD1 4.23Å; I123-I126 PolarHBondContact O-N 3.2Å; I123-L127 HydrophobicContact CG2-CD1 3.77Å; I123-L127 HydrophobicContact CG2-CG 4.02Å; I123-L127 WeakPolarHBondContact O-CB 3.31Å; I123-L127 VanDerWaalsContact O-CG 3.3Å; I123-L127 WeakPolarHBondContact O-CG 3.49Å; I123-L127 PolarHBondContact O-N 3.44Å; I123-I205 HydrophobicContact CD1-CG2 4.34Å; I123-I205 HydrophobicContact CG2-CG2 4.13Å; I123-I208 HydrophobicContact CD1-CG2 4.19Å; I123-S209 WeakPolarHBondContact CD1-OG 3.29Å; I123-S209 WeakPolarHBondContact CG1-OG 3.27Å; I123-L212 HydrophobicContact CD1-CD1 3.58Å; I123-L212 HydrophobicContact CG1-CD1 3.95Å; I123-F253 HydrophobicContact CG2-CE1 3.91Å; I123-F253 HydrophobicContact CG2-CZ 3.73Å; I123-W276 HydrophobicContact CB-CZ3 4.17Å; I123-W276 HydrophobicContact CG1-CH2 4.21Å; I123-W276 HydrophobicContact CG1-CZ3 4.16Å; I123-W276 HydrophobicContact CG2-CZ3 4.27Å; I123-I277 HydrophobicContact CB-CD1 4.04Å; I123-I277 HydrophobicContact CG2-CD1 3.65Å
124H98.5Very high96.7Very high78 Ų7826 Ų2636%0.36112%0.12SC..Hα-helixtrans-55.2-49.3172.7178.8-71.7000111.5S120 L122 I126 L127 D128 I277S120-H124 WeakPolarHBondContact O-CB 3.25Å; S120-H124 PolarHBondContact O-N 3.43Å; L122-H124 VanDerWaalsContact C-N 3.28Å; L122-H124 PolarHBondContact O-N 2.9Å; H124-I126 VanDerWaalsContact C-N 3.33Å; H124-I126 PolarHBondContact O-N 3.34Å; H124-L127 PolarHBondContact O-N 2.95Å; H124-D128 WeakPolarHBondContact O-CB 3.16Å; H124-D128 PolarHBondContact O-N 2.81Å; H124-I277 HydrophobicContact CB-CG2 4.04Å
125Q98.1Very high96.5Very high50 Ų5030.6 Ų30.623%0.23415%0.145CC..Hα-helixtrans-62.8-38.5178.8-71.8173.871.900112.6N78 Q121 L122 I123 A129 I159N78-Q125 PolarHBondContact ND2-OE1 3.44Å; Q121-Q125 PolarHBondContact O-N 3.09Å; Q121-Q125 PolarHBondContact O-NE2 3.09Å; L122-Q125 PolarHBondContact O-N 2.9Å; I123-Q125 PolarHBondContact O-N 3.46Å; Q125-A129 WeakPolarHBondContact O-CB 3.48Å; Q125-A129 PolarHBondContact O-N 3.14Å; Q125-A129 VanDerWaalsContact O-N 3.17Å; Q125-I159 HydrophobicContact CB-CG2 3.51Å; Q125-I159 HydrophobicContact CG-CG2 4.4Å; Q125-I159 VanDerWaalsContact OE1-N 3.16Å
126I98Very high95.9Very high1 Ų135.5 Ų35.51%0.00517%0.169CC..Hα-helixtrans-66.3-47175.8-64.4173000110.3L122 I123 H124 D128 A129 V130 L148 I159 I161 I205L122-I126 HydrophobicContact CD2-CD1 3.48Å; L122-I126 VanDerWaalsContact CD2-CD1 3.48Å; L122-I126 HydrophobicContact CD2-CG1 4.24Å; L122-I126 WeakPolarHBondContact O-CG1 3.49Å; L122-I126 PolarHBondContact O-N 3.15Å; L122-I126 VanDerWaalsContact O-N 3.13Å; I123-I126 HydrophobicContact CD1-CD1 4.23Å; I123-I126 PolarHBondContact O-N 3.2Å; H124-I126 VanDerWaalsContact C-N 3.33Å; H124-I126 PolarHBondContact O-N 3.34Å; I126-D128 VanDerWaalsContact C-N 3.34Å; I126-D128 PolarHBondContact O-N 3.25Å; I126-A129 PolarHBondContact O-N 3.43Å; I126-V130 HydrophobicContact CG2-CG2 4.19Å; I126-V130 WeakPolarHBondContact O-CB 3.43Å; I126-V130 VanDerWaalsContact O-CG2 3.26Å; I126-V130 WeakPolarHBondContact O-CG2 3.4Å; I126-V130 PolarHBondContact O-N 3.1Å; I126-L148 HydrophobicContact CD1-CD1 3.59Å; I126-L148 HydrophobicContact CD1-CD2 4.06Å; I126-L148 HydrophobicContact CD1-CG 4.46Å; I126-L148 HydrophobicContact CG1-CD2 4.16Å; I126-I159 HydrophobicContact CG1-CG2 4.16Å; I126-I161 HydrophobicContact CG2-CD1 4.35Å; I126-I205 HydrophobicContact CG2-CD1 4.03Å; I126-I205 HydrophobicContact CG2-CG1 3.88Å
127L98.5Very high95.2Very high0 Ų038.2 Ų38.20%020%0.197CC..Hα-helixtrans-59.8-43.3178.7-77.3171.4000112.1I123 H124 V130 K131 I205 F253 M257 C268 A271 L272 I277I123-L127 HydrophobicContact CG2-CD1 3.77Å; I123-L127 HydrophobicContact CG2-CG 4.02Å; I123-L127 WeakPolarHBondContact O-CB 3.31Å; I123-L127 VanDerWaalsContact O-CG 3.3Å; I123-L127 WeakPolarHBondContact O-CG 3.49Å; I123-L127 PolarHBondContact O-N 3.44Å; H124-L127 PolarHBondContact O-N 2.95Å; L127-V130 PolarHBondContact O-N 2.83Å; L127-K131 WeakPolarHBondContact O-CB 3.36Å; L127-K131 PolarHBondContact O-N 2.7Å; L127-I205 HydrophobicContact CD2-CD1 3.95Å; L127-I205 HydrophobicContact CD2-CG2 4.17Å; L127-I205 HydrophobicContact CG-CG2 4.46Å; L127-F253 HydrophobicContact CD1-CE2 4.33Å; L127-F253 HydrophobicContact CD1-CZ 4.08Å; L127-M257 HydrophobicContact CD2-CE 3.9Å; L127-C268 HydrophobicContact CD2-CB 4.19Å; L127-A271 HydrophobicContact CD1-CB 3.83Å; L127-A271 HydrophobicContact CD2-CB 3.65Å; L127-A271 HydrophobicContact CG-CB 4.42Å; L127-L272 HydrophobicContact CB-CD2 3.68Å; L127-L272 HydrophobicContact CB-CG 3.89Å; L127-L272 HydrophobicContact CD1-CD2 4.24Å; L127-L272 HydrophobicContact CD1-CG 4.38Å; L127-I277 HydrophobicContact CD1-CD1 4.18Å; L127-I277 HydrophobicContact CD1-CG1 4.12Å; L127-I277 HydrophobicContact CD1-CG2 4.39Å
128D98.3Very high94.5Very high60 Ų6036.2 Ų36.232%0.32119%0.191SC..Hα-helixtrans-61.8-46.7178.3-170.150.4000111.4H76 H124 I126 K131 Y132H76-D128 IonicContact CE1-OD2 3.74Å; H76-D128 PolarHBondContact CE1-OD2 3.2Å; H76-D128 IonicContact NE2-OD2 2.83Å; H76-D128 PolarHBondContact NE2-OD2 3.26Å; H124-D128 WeakPolarHBondContact O-CB 3.16Å; H124-D128 PolarHBondContact O-N 2.81Å; I126-D128 VanDerWaalsContact C-N 3.34Å; I126-D128 PolarHBondContact O-N 3.25Å; D128-K131 PolarHBondContact O-N 2.91Å; D128-Y132 PolarHBondContact O-N 3.37Å
129A96.5Very high93.9Very high0 Ų035.4 Ų35.40%019%0.188CC..Hα-helixtrans-62.1-45.8175.600000113.1H76 N78 I79 Q125 I126 Y132 L133 I161H76-A129 VanDerWaalsContact CE1-CA 3.46Å; H76-A129 WeakPolarHBondContact CE1-CA 3.47Å; N78-A129 HydrophobicContact CB-CB 3.95Å; I79-A129 HydrophobicContact CD1-CB 4.21Å; I79-A129 HydrophobicContact CG1-CB 3.82Å; Q125-A129 WeakPolarHBondContact O-CB 3.48Å; Q125-A129 PolarHBondContact O-N 3.14Å; Q125-A129 VanDerWaalsContact O-N 3.17Å; I126-A129 PolarHBondContact O-N 3.43Å; A129-Y132 WeakPolarHBondContact O-CB 3.35Å; A129-Y132 PolarHBondContact O-N 3.32Å; A129-L133 PolarHBondContact O-N 3.26Å; A129-I161 HydrophobicContact CB-CD1 3.54Å; A129-I161 HydrophobicContact CB-CG1 4.25Å
130V95.9Very high93.4Very high0 Ų035.4 Ų35.40%019%0.188CC..Hα-helixtrans-70.5-36.5-178.9176.10000110.7I126 L127 Y132 L133 H134 L143 I161 D201 I205 C268I126-V130 HydrophobicContact CG2-CG2 4.19Å; I126-V130 WeakPolarHBondContact O-CB 3.43Å; I126-V130 VanDerWaalsContact O-CG2 3.26Å; I126-V130 WeakPolarHBondContact O-CG2 3.4Å; I126-V130 PolarHBondContact O-N 3.1Å; L127-V130 PolarHBondContact O-N 2.83Å; V130-Y132 VanDerWaalsContact C-N 3.33Å; V130-Y132 PolarHBondContact O-N 3.14Å; V130-L133 WeakPolarHBondContact O-CB 3.15Å; V130-L133 PolarHBondContact O-N 2.78Å; V130-H134 VanDerWaalsContact CG1-NE2 3.34Å; V130-H134 WeakPolarHBondContact CG1-NE2 3.2Å; V130-H134 WeakPolarHBondContact O-CB 3.13Å; V130-H134 PolarHBondContact O-CD2 2.94Å; V130-H134 VanDerWaalsContact O-CD2 3.28Å; V130-H134 VanDerWaalsContact O-CG 3.26Å; V130-H134 PolarHBondContact O-N 2.72Å; V130-L143 HydrophobicContact CG1-CD1 4.45Å; V130-L143 HydrophobicContact CG2-CD1 3.71Å; V130-L143 HydrophobicContact CG2-CD2 4.43Å; V130-I161 HydrophobicContact CG2-CD1 3.64Å; V130-D201 HydrophobicContact CG1-CB 3.84Å; V130-I205 HydrophobicContact CB-CD1 4.18Å; V130-I205 HydrophobicContact CG1-CD1 4.22Å; V130-I205 HydrophobicContact CG2-CD1 4.08Å; V130-C268 VanDerWaalsContact CG1-SG 3.59Å
131K96.9Very high92.6Very high46 Ų4638.7 Ų38.720%0.220%0.199CC..Hα-helixtrans-57.8-46.8170.6-176.4-176.3177.5-610110.8L127 D128 L133 H134 D135 C268 L272L127-K131 WeakPolarHBondContact O-CB 3.36Å; L127-K131 PolarHBondContact O-N 2.7Å; D128-K131 PolarHBondContact O-N 2.91Å; K131-L133 VanDerWaalsContact C-N 3.33Å; K131-L133 PolarHBondContact O-N 2.7Å; K131-H134 CarbonylContact O-C 3.6Å; K131-H134 WeakPolarHBondContact O-CB 3.05Å; K131-H134 PolarHBondContact O-N 3.13Å; K131-H134 VanDerWaalsContact O-N 3.14Å; K131-D135 IonicContact NZ-OD1 3.11Å; K131-D135 IonicContact NZ-OD2 2.72Å; K131-D135 PolarHBondContact NZ-OD2 2.81Å; K131-D135 VanDerWaalsContact O-CG 3.29Å; K131-D135 PolarHBondContact O-N 2.73Å; K131-C268 HydrophobicContact CB-CB 3.77Å; K131-C268 HydrophobicContact CG-CB 4.42Å; K131-L272 HydrophobicContact CB-CD1 4.44Å; K131-L272 HydrophobicContact CD-CD1 3.74Å
132Y95.3Very high91.7Very high58 Ų5835.9 Ų35.923%0.22719%0.187CC..Hα-helixtrans-57.3-45.3176.3173-88.8000112.1I74 K75 H76 I79 D128 A129 V130 H134 D135 M136I74-Y132 HydrophobicContact CB-CE1 4.27Å; I74-Y132 HydrophobicContact CG1-CE1 4.26Å; I74-Y132 HydrophobicContact CG2-CE1 3.84Å; K75-Y132 PolarHBondContact N-OH 2.84Å; K75-Y132 VanDerWaalsContact N-OH 3.11Å; H76-Y132 HydrophobicContact CB-CD1 4.02Å; H76-Y132 HydrophobicContact CB-CE1 4.31Å; H76-Y132 HydrophobicContact CB-CG 4.29Å; H76-Y132 AromaticContact CD2-CG 3.67Å; I79-Y132 HydrophobicContact CD1-CD1 3.87Å; D128-Y132 PolarHBondContact O-N 3.37Å; A129-Y132 WeakPolarHBondContact O-CB 3.35Å; A129-Y132 PolarHBondContact O-N 3.32Å; V130-Y132 VanDerWaalsContact C-N 3.33Å; V130-Y132 PolarHBondContact O-N 3.14Å; Y132-H134 VanDerWaalsContact C-N 3.34Å; Y132-H134 PolarHBondContact O-N 3.19Å; Y132-D135 PolarHBondContact O-N 2.74Å; Y132-M136 HydrophobicContact CE1-CG 4.09Å; Y132-M136 WeakPolarHBondContact O-CG 3.11Å; Y132-M136 PolarHBondContact O-N 2.73Å; Y132-M136 VanDerWaalsContact O-N 3.12Å
133L91.2Very high91.2Very high0 Ų035.5 Ų35.50%019%0.186CC..Hα-helixtrans-59.9-45.5174.7-69.5176.3000111.4I74 I79 A129 V130 K131 D135 M136 G137 I138 F164I74-L133 HydrophobicContact CD1-CD2 3.9Å; I74-L133 HydrophobicContact CG1-CD2 4.44Å; I74-L133 HydrophobicContact CG2-CD2 4.39Å; I79-L133 HydrophobicContact CD1-CD1 4.16Å; I79-L133 HydrophobicContact CD1-CD2 3.75Å; I79-L133 HydrophobicContact CD1-CG 3.67Å; A129-L133 PolarHBondContact O-N 3.26Å; V130-L133 WeakPolarHBondContact O-CB 3.15Å; V130-L133 PolarHBondContact O-N 2.78Å; K131-L133 VanDerWaalsContact C-N 3.33Å; K131-L133 PolarHBondContact O-N 2.7Å; L133-D135 VanDerWaalsContact C-N 3.35Å; L133-D135 PolarHBondContact O-N 2.81Å; L133-M136 CarbonylContact O-C 3.55Å; L133-M136 WeakPolarHBondContact O-CA 3.36Å; L133-M136 WeakPolarHBondContact O-CB 3.5Å; L133-M136 PolarHBondContact O-N 2.73Å; L133-M136 VanDerWaalsContact O-N 3.12Å; L133-G137 PolarHBondContact O-N 3.38Å; L133-I138 CarbonylContact C-O 3.49Å; L133-I138 HydrophobicContact CB-CB 4.24Å; L133-I138 HydrophobicContact CD2-CB 4.41Å; L133-I138 HydrophobicContact CD2-CD1 4.19Å; L133-I138 HydrophobicContact CD2-CG2 4.3Å; L133-I138 WeakPolarHBondContact O-CA 3.36Å; L133-I138 WeakPolarHBondContact O-CB 3.2Å; L133-I138 PolarHBondContact O-N 3.02Å; L133-F164 HydrophobicContact CD1-CB 4.5Å; L133-F164 HydrophobicContact CD2-CD2 4.41Å
134H91.3Very high90.5Very high11 Ų1137.5 Ų37.55%0.05119%0.194CC..Hα-helixtrans-61.6-42.3179-74.7-171.9000111.5V130 K131 Y132 M136 G137 I138 K198 D201V130-H134 VanDerWaalsContact CG1-NE2 3.34Å; V130-H134 WeakPolarHBondContact CG1-NE2 3.2Å; V130-H134 WeakPolarHBondContact O-CB 3.13Å; V130-H134 PolarHBondContact O-CD2 2.94Å; V130-H134 VanDerWaalsContact O-CD2 3.28Å; V130-H134 VanDerWaalsContact O-CG 3.26Å; V130-H134 PolarHBondContact O-N 2.72Å; K131-H134 CarbonylContact O-C 3.6Å; K131-H134 WeakPolarHBondContact O-CB 3.05Å; K131-H134 PolarHBondContact O-N 3.13Å; K131-H134 VanDerWaalsContact O-N 3.14Å; Y132-H134 VanDerWaalsContact C-N 3.34Å; Y132-H134 PolarHBondContact O-N 3.19Å; H134-M136 PolarHBondContact O-N 3.15Å; H134-G137 WeakPolarHBondContact O-CA 3.45Å; H134-G137 PolarHBondContact O-N 3.06Å; H134-I138 WeakPolarHBondContact CA-O 3.43Å; H134-I138 PolarHBondContact CD2-O 3.03Å; H134-I138 VanDerWaalsContact CD2-O 3.29Å; H134-K198 HydrophobicContact CB-CD 3.82Å; H134-K198 HydrophobicContact CB-CG 4.27Å; H134-K198 PolarHBondContact CE1-O 3.02Å; H134-K198 WeakPolarHBondContact O-CE 3.24Å; H134-K198 PolarHBondContact O-NZ 2.89Å; H134-D201 IonicContact CD2-OD2 2.67Å; H134-D201 IonicContact CE1-OD2 3.88Å; H134-D201 IonicContact NE2-OD2 2.85Å; H134-D201 PolarHBondContact NE2-OD2 3.16Å
135D90.8Very high89.6Confident100 Ų10034 Ų3454%0.53518%0.178SC..Hα-helixtrans-63.8-30.4176.7-69.5-17.4000111.8K131 Y132 L133 G137K131-D135 IonicContact NZ-OD1 3.11Å; K131-D135 IonicContact NZ-OD2 2.72Å; K131-D135 PolarHBondContact NZ-OD2 2.81Å; K131-D135 VanDerWaalsContact O-CG 3.29Å; K131-D135 PolarHBondContact O-N 2.73Å; Y132-D135 PolarHBondContact O-N 2.74Å; L133-D135 VanDerWaalsContact C-N 3.35Å; L133-D135 PolarHBondContact O-N 2.81Å; D135-G137 PolarHBondContact O-N 3.21Å
136M85.4Confident88.7Confident107 Ų10734.2 Ų34.253%0.52718%0.179SC..THydrogen-bonded Turntrans-79.81.8171.4-64.1-8079.200114Y132 L133 H134 I138Y132-M136 HydrophobicContact CE1-CG 4.09Å; Y132-M136 WeakPolarHBondContact O-CG 3.11Å; Y132-M136 PolarHBondContact O-N 2.73Å; Y132-M136 VanDerWaalsContact O-N 3.12Å; L133-M136 CarbonylContact O-C 3.55Å; L133-M136 WeakPolarHBondContact O-CA 3.36Å; L133-M136 WeakPolarHBondContact O-CB 3.5Å; L133-M136 PolarHBondContact O-N 2.73Å; L133-M136 VanDerWaalsContact O-N 3.12Å; H134-M136 PolarHBondContact O-N 3.15Å; M136-I138 VanDerWaalsContact C-N 3.31Å; M136-I138 HydrophobicContact CB-CD1 4.01Å; M136-I138 HydrophobicContact CB-CG1 4.15Å
137G82.4Confident88.1Confident58 Ų5834.6 Ų34.660%0.59818%0.181SC*.THydrogen-bonded Turntrans76.518-179.200000113.9L133 H134 D135L133-G137 PolarHBondContact O-N 3.38Å; H134-G137 WeakPolarHBondContact O-CA 3.45Å; H134-G137 PolarHBondContact O-N 3.06Å; D135-G137 PolarHBondContact O-N 3.21Å
138I83.4Confident87.6Confident24 Ų2434.6 Ų34.612%0.12318%0.181CC..  trans-101.3142-178.7-53.4172.7000108.7V70 I74 L133 H134 M136V70-I138 HydrophobicContact CG1-CD1 3.38Å; V70-I138 HydrophobicContact CG1-CG1 3.94Å; I74-I138 HydrophobicContact CD1-CD1 3.29Å; I74-I138 HydrophobicContact CG1-CD1 3.94Å; L133-I138 CarbonylContact C-O 3.49Å; L133-I138 HydrophobicContact CB-CB 4.24Å; L133-I138 HydrophobicContact CD2-CB 4.41Å; L133-I138 HydrophobicContact CD2-CD1 4.19Å; L133-I138 HydrophobicContact CD2-CG2 4.3Å; L133-I138 WeakPolarHBondContact O-CA 3.36Å; L133-I138 WeakPolarHBondContact O-CB 3.2Å; L133-I138 PolarHBondContact O-N 3.02Å; H134-I138 WeakPolarHBondContact CA-O 3.43Å; H134-I138 PolarHBondContact CD2-O 3.03Å; H134-I138 VanDerWaalsContact CD2-O 3.29Å; M136-I138 VanDerWaalsContact C-N 3.31Å; M136-I138 HydrophobicContact CB-CD1 4.01Å; M136-I138 HydrophobicContact CB-CG1 4.15Å
139V84.3Confident87.2Confident25 Ų2533.7 Ų33.715%0.15218%0.176CC..  trans-121.6128.9172.8-174.70000106.5R141 K198 V200 D201V139-R141 HydrophobicContact CB-CG 4.12Å; V139-R141 HydrophobicContact CG1-CG 3.72Å; V139-K198 HydrophobicContact CG2-CB 4.49Å; V139-K198 HydrophobicContact CG2-CG 3.8Å; V139-V200 HydrophobicContact CG1-CG2 3.78Å; V139-D201 WeakPolarHBondContact CG1-OD2 3.21Å
140H85.4Confident86.9Confident0 Ų034.4 Ų34.40%018%0.179CC..  trans-69.7-46.4-175.6-172.7-69.3000111.7D142 L143 S162 F164 S167 D201H140-D142 VanDerWaalsContact CE1-C 3.47Å; H140-D142 PolarHBondContact CE1-O 2.93Å; H140-D142 PolarHBondContact ND1-N 2.61Å; H140-D142 PolarHBondContact ND1-O 3.44Å; H140-D142 PolarHBondContact O-N 3.35Å; H140-L143 HydrophobicContact CB-CD1 4.4Å; H140-L143 HydrophobicContact CB-CD2 4.22Å; H140-L143 HydrophobicContact CB-CG 3.88Å; H140-L143 PolarHBondContact ND1-N 3.35Å; H140-S162 PolarHBondContact NE2-O 3.13Å; H140-F164 WeakPolarHBondContact CD2-CB 3.38Å; H140-F164 WeakPolarHBondContact NE2-CA 3.13Å; H140-S167 WeakPolarHBondContact O-CB 3.22Å; H140-S167 PolarHBondContact O-OG 3.35Å; H140-D201 WeakPolarHBondContact CB-OD1 3.31Å; H140-D201 PolarHBondContact N-OD1 2.83Å; H140-D201 PolarHBondContact N-OD2 3.36Å
141R82.1Confident86.6Confident76 Ų7639 Ų3929%0.28720%0.197SC..  trans70.6-23.8176.4-52.5169.2177.1-156.3-10.7116.8V139 Y196 D201V139-R141 HydrophobicContact CB-CG 4.12Å; V139-R141 HydrophobicContact CG1-CG 3.72Å; R141-Y196 HydrophobicContact CG-CE2 4.26Å; R141-Y196 PolarHBondContact NH1-OH 3.02Å; R141-Y196 VanDerWaalsContact NH1-OH 3.16Å; R141-D201 PolarHBondContact N-OD1 2.73Å
142D78.2Confident86.2Confident51 Ų5137.7 Ų37.727%0.27319%0.193SC..  trans-122.843.7178.7-169.242000111.5H140 K144 N147H140-D142 VanDerWaalsContact CE1-C 3.47Å; H140-D142 PolarHBondContact CE1-O 2.93Å; H140-D142 PolarHBondContact ND1-N 2.61Å; H140-D142 PolarHBondContact ND1-O 3.44Å; H140-D142 PolarHBondContact O-N 3.35Å; D142-K144 PolarHBondContact O-N 3.34Å; D142-K144 IonicContact OD1-NZ 3.36Å; D142-K144 PolarHBondContact OD1-NZ 3.31Å; D142-K144 WeakPolarHBondContact OD2-CE 3.18Å; D142-K144 IonicContact OD2-NZ 3.53Å; D142-K144 PolarHBondContact OD2-NZ 3.33Å; D142-N147 PolarHBondContact O-ND2 3.22Å; D142-N147 PolarHBondContact OD2-ND2 3.18Å
143L86.3Confident85.8Confident1 Ų139.5 Ų39.51%0.00521%0.205CC..  trans-71.4119.1175-78.6176.6000109.4V130 H140 I161 D201 S204 I205V130-L143 HydrophobicContact CG1-CD1 4.45Å; V130-L143 HydrophobicContact CG2-CD1 3.71Å; V130-L143 HydrophobicContact CG2-CD2 4.43Å; H140-L143 HydrophobicContact CB-CD1 4.4Å; H140-L143 HydrophobicContact CB-CD2 4.22Å; H140-L143 HydrophobicContact CB-CG 3.88Å; H140-L143 PolarHBondContact ND1-N 3.35Å; L143-I161 HydrophobicContact CD2-CD1 4.35Å; L143-I161 HydrophobicContact CD2-CG2 4.08Å; L143-D201 HydrophobicContact CD1-CB 3.71Å; L143-S204 WeakPolarHBondContact O-CB 3.21Å; L143-I205 HydrophobicContact CD1-CD1 4.26Å; L143-I205 HydrophobicContact CD1-CG1 3.97Å
144K83.1Confident85.7Confident42 Ų4244.1 Ų44.118%0.18323%0.23CC..  trans-156160.3179.963.6-176.5-177.9-141.40109.7D142 E146 N147 Y185D142-K144 PolarHBondContact O-N 3.34Å; D142-K144 IonicContact OD1-NZ 3.36Å; D142-K144 PolarHBondContact OD1-NZ 3.31Å; D142-K144 WeakPolarHBondContact OD2-CE 3.18Å; D142-K144 IonicContact OD2-NZ 3.53Å; D142-K144 PolarHBondContact OD2-NZ 3.33Å; K144-E146 VanDerWaalsContact CB-OE2 3.26Å; K144-E146 WeakPolarHBondContact CB-OE2 3.09Å; K144-E146 HydrophobicContact CD-CB 4.43Å; K144-E146 WeakPolarHBondContact CD-OE2 3.48Å; K144-E146 HydrophobicContact CG-CB 4.26Å; K144-E146 WeakPolarHBondContact CG-OE2 2.97Å; K144-E146 PolarHBondContact O-N 3.5Å; K144-E146 VanDerWaalsContact O-N 3.16Å; K144-N147 HydrophobicContact CG-CB 4.36Å; K144-N147 PolarHBondContact O-N 2.98Å; K144-Y185 HydrophobicContact CB-CD2 4.15Å; K144-Y185 HydrophobicContact CB-CE2 4.5Å; K144-Y185 HydrophobicContact CB-CG 4.31Å
145P81.1Confident85.4Confident3 Ų351.9 Ų51.92%0.01927%0.266CS..G310 helixtrans-53.5-34.7-177.3-24.631.1000114.6F105 N147 L148 Y185F105-P145 HydrophobicContact CD2-CB 3.6Å; F105-P145 HydrophobicContact CD2-CG 3.94Å; F105-P145 HydrophobicContact CE2-CB 3.34Å; F105-P145 HydrophobicContact CE2-CG 3.16Å; F105-P145 HydrophobicContact CZ-CB 4.17Å; F105-P145 HydrophobicContact CZ-CG 3.84Å; P145-N147 PolarHBondContact O-N 2.96Å; P145-L148 PolarHBondContact O-N 2.93Å; P145-Y185 HydrophobicContact CG-CE1 3.93Å; P145-Y185 VanDerWaalsContact CG-OH 3.29Å; P145-Y185 WeakPolarHBondContact CG-OH 3.48Å
146E78.1Confident85.2Confident55 Ų5554 Ų5426%0.25728%0.278SS..G310 helixtrans-64-23.9178.9-56.390.2149.100112.2K144K144-E146 VanDerWaalsContact CB-OE2 3.26Å; K144-E146 WeakPolarHBondContact CB-OE2 3.09Å; K144-E146 HydrophobicContact CD-CB 4.43Å; K144-E146 WeakPolarHBondContact CD-OE2 3.48Å; K144-E146 HydrophobicContact CG-CB 4.26Å; K144-E146 WeakPolarHBondContact CG-OE2 2.97Å; K144-E146 PolarHBondContact O-N 3.5Å; K144-E146 VanDerWaalsContact O-N 3.16Å
147N85.1Confident85.5Confident9 Ų949.5 Ų49.55%0.04826%0.257CS..G310 helixtrans-96.18.6176.9-67.6-21.5000112.7D142 K144 P145 I161 S162D142-N147 PolarHBondContact O-ND2 3.22Å; D142-N147 PolarHBondContact OD2-ND2 3.18Å; K144-N147 HydrophobicContact CG-CB 4.36Å; K144-N147 PolarHBondContact O-N 2.98Å; P145-N147 PolarHBondContact O-N 2.96Å; N147-I161 WeakPolarHBondContact O-CA 3.32Å; N147-S162 WeakPolarHBondContact CA-OG 3.47Å; N147-S162 PolarHBondContact O-N 2.88Å; N147-S162 PolarHBondContact O-OG 2.85Å
148L89.6Confident86.1Confident0 Ų050.1 Ų50.10%024%0.243CC..EExtended strand (participates in β ladder)trans-118.6101.9-180-62.8176.5000109.9L104 I126 P145 I159 I161 I208L104-L148 HydrophobicContact CB-CB 4.19Å; L104-L148 HydrophobicContact CD2-CB 4.17Å; L104-L148 HydrophobicContact CD2-CD1 3.75Å; L104-L148 PolarHBondContact N-O 3.22Å; L104-L148 VanDerWaalsContact N-O 3.12Å; I126-L148 HydrophobicContact CD1-CD1 3.59Å; I126-L148 HydrophobicContact CD1-CD2 4.06Å; I126-L148 HydrophobicContact CD1-CG 4.46Å; I126-L148 HydrophobicContact CG1-CD2 4.16Å; P145-L148 PolarHBondContact O-N 2.93Å; L148-I159 HydrophobicContact CB-CD1 4.16Å; L148-I159 HydrophobicContact CB-CG1 4.32Å; L148-I161 HydrophobicContact CD2-CG1 3.84Å; L148-I208 HydrophobicContact CD1-CD1 3.85Å; L148-I208 HydrophobicContact CD1-CG2 4.19Å
149L88.9Confident86.6Confident41 Ų4149 Ų4922%0.21524%0.237CC..EExtended strand (participates in β ladder)trans-119.1140.8-172.2-57.3178.8000110.9V99 G102 E103 M160V99-L149 HydrophobicContact CG1-CB 3.53Å; V99-L149 HydrophobicContact CG1-CD1 4.37Å; G102-L149 WeakPolarHBondContact O-CA 3.39Å; E103-L149 HydrophobicContact CB-CD2 4.45Å; E103-L149 HydrophobicContact CG-CD2 3.78Å; L149-M160 PolarHBondContact N-O 2.72Å; L149-M160 WeakPolarHBondContact O-CA 3.21Å; L149-M160 VanDerWaalsContact O-CB 3.31Å; L149-M160 WeakPolarHBondContact O-CB 3.33Å; L149-M160 PolarHBondContact O-N 2.96Å
150Y90.6Very high87Confident15 Ų1547.9 Ų47.96%0.05923%0.23CC..EExtended strand (participates in β ladder)trans-74.9138.4171.8-79-89.5000110.6V99 G101 G102 L104 R107 L122 S152 S157 I159V99-Y150 WeakPolarHBondContact CG1-O 3.46Å; G101-Y150 WeakPolarHBondContact CA-O 3.3Å; G101-Y150 PolarHBondContact N-O 3.45Å; G102-Y150 PolarHBondContact O-N 3.08Å; L104-Y150 HydrophobicContact CD1-CE2 4.06Å; R107-Y150 HydrophobicContact CB-CD2 3.82Å; R107-Y150 HydrophobicContact CB-CE2 3.51Å; R107-Y150 HydrophobicContact CG-CD2 3.52Å; R107-Y150 HydrophobicContact CG-CE2 3.8Å; R107-Y150 HydrophobicContact CG-CG 4.26Å; L122-Y150 WeakPolarHBondContact CD1-OH 3.36Å; Y150-S152 PolarHBondContact O-N 2.82Å; Y150-S157 WeakPolarHBondContact CD1-O 3.47Å; Y150-S157 WeakPolarHBondContact CE1-O 3.15Å; Y150-I159 HydrophobicContact CD2-CD1 4.07Å; Y150-I159 HydrophobicContact CE2-CD1 4.14Å; Y150-I159 HydrophobicContact CG-CD1 4.35Å
151Y89.8Confident87.3Confident98 Ų9847.9 Ų47.938%0.38423%0.23SC..SBendtrans-53.3-52.7178.4180-109.3000113.1Q97 S100 G101 S157 K158 M160Q97-Y151 VanDerWaalsContact NE2-CE2 3.34Å; S100-Y151 PolarHBondContact N-O 3.45Å; G101-Y151 PolarHBondContact N-O 3.06Å; Y151-S157 PolarHBondContact N-OG 2.81Å; Y151-S157 VanDerWaalsContact N-OG 3.08Å; Y151-K158 PolarHBondContact N-O 3.24Å; Y151-M160 HydrophobicContact CD2-CG 4.49Å; Y151-M160 HydrophobicContact CD2-SD 4.48Å
152S88.4Confident87.4Confident17 Ų1744.7 Ų44.712%0.11922%0.22CC..SBendtrans-136.5173.5-179.367.20000111.5G101 Y150 D154 S157G101-S152 WeakPolarHBondContact CA-O 3.49Å; Y150-S152 PolarHBondContact O-N 2.82Å; S152-D154 WeakPolarHBondContact CB-OD2 3.39Å; S152-D154 PolarHBondContact O-N 3.15Å; S152-D154 WeakPolarHBondContact OG-CB 3.42Å; S152-D154 VanDerWaalsContact OG-CG 3.3Å; S152-D154 PolarHBondContact OG-N 3.09Å; S152-D154 PolarHBondContact OG-OD2 3.37Å; S152-S157 PolarHBondContact N-OG 3.41Å; S152-S157 WeakPolarHBondContact O-CB 3.44Å; S152-S157 PolarHBondContact O-OG 2.82Å
153M86Confident87.3Confident97 Ų9745 Ų4548%0.47822%0.221SC..SBendtrans-76.7-2.6176.2-72.2-67.1-16800113.3R107R107-M153 VanDerWaalsContact NH1-C 3.33Å; R107-M153 PolarHBondContact NH1-O 3.1Å; R107-M153 PolarHBondContact NH2-O 2.83Å
154D89.9Confident86.4Confident97 Ų9745.3 Ų45.352%0.51922%0.223SC..SBendtrans-65.1148.9-178.8-53.2-46.4000110.8R107 S152 D156 S157R107-D154 PolarHBondContact NH2-O 3.15Å; S152-D154 WeakPolarHBondContact CB-OD2 3.39Å; S152-D154 PolarHBondContact O-N 3.15Å; S152-D154 WeakPolarHBondContact OG-CB 3.42Å; S152-D154 VanDerWaalsContact OG-CG 3.3Å; S152-D154 PolarHBondContact OG-N 3.09Å; S152-D154 PolarHBondContact OG-OD2 3.37Å; D154-D156 VanDerWaalsContact C-N 3.28Å; D154-D156 PolarHBondContact O-N 2.99Å; D154-S157 VanDerWaalsContact O-CB 3.24Å; D154-S157 WeakPolarHBondContact O-CB 3.19Å; D154-S157 PolarHBondContact O-N 2.6Å; D154-S157 VanDerWaalsContact O-N 3.15Å
155E84Confident85.1Confident173 Ų17343.8 Ų43.881%0.80822%0.218SC*.THydrogen-bonded Turntrans-62.5-35.9-174.4-172.9173.3-177.200112.6S157E155-S157 VanDerWaalsContact C-N 3.34Å
156D87Confident83.9Confident146 Ų14644.9 Ų44.978%0.78122%0.224SC*.THydrogen-bonded Turntrans-92.513178.965.5-28.3000113.3D154 K158D154-D156 VanDerWaalsContact C-N 3.28Å; D154-D156 PolarHBondContact O-N 2.99Å; D156-K158 PolarHBondContact O-N 2.84Å
157S92.5Very high82.6Confident12 Ų1243.2 Ų43.28%0.08422%0.219CC..PPolyproline II helixtrans-57.3133.6179.1175.90000111.5Y150 Y151 S152 D154 E155Y150-S157 WeakPolarHBondContact CD1-O 3.47Å; Y150-S157 WeakPolarHBondContact CE1-O 3.15Å; Y151-S157 PolarHBondContact N-OG 2.81Å; Y151-S157 VanDerWaalsContact N-OG 3.08Å; S152-S157 PolarHBondContact N-OG 3.41Å; S152-S157 WeakPolarHBondContact O-CB 3.44Å; S152-S157 PolarHBondContact O-OG 2.82Å; D154-S157 VanDerWaalsContact O-CB 3.24Å; D154-S157 WeakPolarHBondContact O-CB 3.19Å; D154-S157 PolarHBondContact O-N 2.6Å; D154-S157 VanDerWaalsContact O-N 3.15Å; E155-S157 VanDerWaalsContact C-N 3.34Å
158K93.9Very high80.7Confident71 Ų7149.3 Ų49.331%0.30925%0.245SC..PPolyproline II helixtrans-69.5154.9171.663179.7176171.10112.5P77 Y151 D156 M160P77-K158 WeakPolarHBondContact O-CD 3.32Å; P77-K158 WeakPolarHBondContact O-CE 3.39Å; P77-K158 PolarHBondContact O-NZ 2.91Å; Y151-K158 PolarHBondContact N-O 3.24Å; D156-K158 PolarHBondContact O-N 2.84Å; K158-M160 HydrophobicContact CD-SD 3.98Å; K158-M160 HydrophobicContact CG-SD 4.05Å
159I95Very high78.5Confident0 Ų050.3 Ų50.30%025%0.25CC..EExtended strand (participates in β ladder)trans-83.2145171.6-163.568.3000110.5N78 L104 Q125 I126 L148 Y150N78-I159 WeakPolarHBondContact CA-O 3.46Å; N78-I159 WeakPolarHBondContact CB-O 3.01Å; N78-I159 PolarHBondContact ND2-O 3.39Å; L104-I159 HydrophobicContact CD1-CD1 4.29Å; Q125-I159 HydrophobicContact CB-CG2 3.51Å; Q125-I159 HydrophobicContact CG-CG2 4.4Å; Q125-I159 VanDerWaalsContact OE1-N 3.16Å; I126-I159 HydrophobicContact CG1-CG2 4.16Å; L148-I159 HydrophobicContact CB-CD1 4.16Å; L148-I159 HydrophobicContact CB-CG1 4.32Å; Y150-I159 HydrophobicContact CD2-CD1 4.07Å; Y150-I159 HydrophobicContact CE2-CD1 4.14Å; Y150-I159 HydrophobicContact CG-CD1 4.35Å
160M92.8Very high76.4Confident1 Ų152.8 Ų52.81%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-126.8131.6-179.5-55.6-65-65.700109.3P77 N78 I79 V80 V99 L149 Y151 K158P77-M160 WeakPolarHBondContact O-CE 3.44Å; N78-M160 WeakPolarHBondContact O-CA 3.48Å; I79-M160 WeakPolarHBondContact O-CE 3.37Å; V80-M160 HydrophobicContact CG2-CB 4.17Å; V99-M160 HydrophobicContact CG1-CB 4.31Å; V99-M160 HydrophobicContact CG1-CG 4.24Å; V99-M160 HydrophobicContact CG2-CB 4.2Å; V99-M160 HydrophobicContact CG2-CG 4.09Å; L149-M160 PolarHBondContact N-O 2.72Å; L149-M160 WeakPolarHBondContact O-CA 3.21Å; L149-M160 VanDerWaalsContact O-CB 3.31Å; L149-M160 WeakPolarHBondContact O-CB 3.33Å; L149-M160 PolarHBondContact O-N 2.96Å; Y151-M160 HydrophobicContact CD2-CG 4.49Å; Y151-M160 HydrophobicContact CD2-SD 4.48Å; K158-M160 HydrophobicContact CD-SD 3.98Å; K158-M160 HydrophobicContact CG-SD 4.05Å
161I91.6Very high73.9Confident0 Ų053.1 Ų53.10%027%0.268CS..EExtended strand (participates in β ladder)trans-85.5121169.9-55.8-176.1000108.8N78 V80 I126 A129 V130 L143 N147 L148N78-I161 PolarHBondContact O-N 3.18Å; V80-I161 WeakPolarHBondContact CG2-O 3.25Å; V80-I161 PolarHBondContact N-O 3.19Å; I126-I161 HydrophobicContact CG2-CD1 4.35Å; A129-I161 HydrophobicContact CB-CD1 3.54Å; A129-I161 HydrophobicContact CB-CG1 4.25Å; V130-I161 HydrophobicContact CG2-CD1 3.64Å; L143-I161 HydrophobicContact CD2-CD1 4.35Å; L143-I161 HydrophobicContact CD2-CG2 4.08Å; N147-I161 WeakPolarHBondContact O-CA 3.32Å; L148-I161 HydrophobicContact CD2-CG1 3.84Å
162S84.4Confident71.3Confident10 Ų1054.1 Ų54.17%0.0730%0.297CS..  trans-104169.4174600000112H140 N147 F164H140-S162 PolarHBondContact NE2-O 3.13Å; N147-S162 WeakPolarHBondContact CA-OG 3.47Å; N147-S162 PolarHBondContact O-N 2.88Å; N147-S162 PolarHBondContact O-OG 2.85Å; S162-F164 VanDerWaalsContact C-N 3.3Å; S162-F164 PolarHBondContact O-N 3.26Å; S162-F164 VanDerWaalsContact O-N 3.1Å
163D74.4Confident68.8Low56 Ų5656.6 Ų56.630%0.29933%0.325SS..  trans58.224.8167.1-79.1-40.4000118.5K50 G165K50-D163 IonicContact NZ-OD1 2.73Å; K50-D163 PolarHBondContact NZ-OD1 3.16Å; D163-G165 PolarHBondContact O-N 3.02Å
164F67.6Low66.8Low9 Ų952.7 Ų52.74%0.03931%0.307CS..THydrogen-bonded Turntrans-72.5-6.1175.562.8-89.2000115.3L71 I74 I79 V80 L133 H140 S162L71-F164 HydrophobicContact CB-CE2 4.37Å; L71-F164 HydrophobicContact CD2-CD2 3.63Å; L71-F164 HydrophobicContact CD2-CE2 3.35Å; L71-F164 HydrophobicContact CD2-CZ 4.46Å; L71-F164 HydrophobicContact CG-CE2 4.34Å; I74-F164 HydrophobicContact CD1-CD2 4.08Å; I74-F164 HydrophobicContact CD1-CE2 3.43Å; I74-F164 VanDerWaalsContact CD1-CE2 3.43Å; I74-F164 HydrophobicContact CD1-CZ 4.22Å; I74-F164 HydrophobicContact CG2-CE2 4.4Å; I74-F164 HydrophobicContact CG2-CZ 4.19Å; I79-F164 HydrophobicContact CG2-CD1 3.65Å; I79-F164 HydrophobicContact CG2-CE1 3.13Å; I79-F164 HydrophobicContact CG2-CZ 3.64Å; V80-F164 WeakPolarHBondContact O-CE1 3.27Å; L133-F164 HydrophobicContact CD1-CB 4.5Å; L133-F164 HydrophobicContact CD2-CD2 4.41Å; H140-F164 WeakPolarHBondContact CD2-CB 3.38Å; H140-F164 WeakPolarHBondContact NE2-CA 3.13Å; S162-F164 VanDerWaalsContact C-N 3.3Å; S162-F164 PolarHBondContact O-N 3.26Å; S162-F164 VanDerWaalsContact O-N 3.1Å
165G56.3Low64.6Low9 Ų949.6 Ų49.69%0.09329%0.292CS..THydrogen-bonded Turntrans-98.90.5-154.700000118.9L71 D163L71-G165 WeakPolarHBondContact CD1-O 3.34Å; D163-G165 PolarHBondContact O-N 3.02Å
166L56Low62.2Low27 Ų2747.9 Ų47.914%0.14129%0.285CS..SBendtrans-143.712178.4-55.1168000112.2I52 I64 E67 K168 I169I52-L166 HydrophobicContact CD1-CD1 3.49Å; I52-L166 VanDerWaalsContact CD1-CD1 3.49Å; I52-L166 HydrophobicContact CG1-CD1 4.32Å; I64-L166 HydrophobicContact CD1-CD2 3.7Å; I64-L166 HydrophobicContact CG1-CD2 3.99Å; E67-L166 WeakPolarHBondContact OE1-CA 3.41Å; L166-K168 PolarHBondContact O-N 3.25Å; L166-I169 HydrophobicContact CB-CD1 4.03Å; L166-I169 HydrophobicContact CB-CG1 4.35Å; L166-I169 HydrophobicContact CD2-CD1 3.37Å; L166-I169 HydrophobicContact CD2-CG1 4.48Å; L166-I169 HydrophobicContact CG-CD1 4.25Å; L166-I169 WeakPolarHBondContact O-CB 3.16Å; L166-I169 PolarHBondContact O-N 2.95Å
167S50.2Low59.8Low20 Ų2044.2 Ų44.214%0.1427%0.271CS..THydrogen-bonded Turntrans-65.7-12.4-175.362.80000112.9H140H140-S167 WeakPolarHBondContact O-CB 3.22Å; H140-S167 PolarHBondContact O-OG 3.35Å
168K45.3Very low57.5Low137 Ų13745.2 Ų45.260%0.59628%0.277SS*.THydrogen-bonded Turntrans-85.3-20.4171.7-158.9170.6-174.6-179.70113.3L166L166-K168 PolarHBondContact O-N 3.25Å
169I43.8Very low54.8Low20 Ų2042.9 Ų42.910%0.10327%0.271CS..THydrogen-bonded Turntrans-83.7-25.7-175.8-52.2-175.7000111.2L57 K60 I64 E67 L166 G171L57-I169 HydrophobicContact CD2-CG2 4.46Å; K60-I169 HydrophobicContact CD-CG2 3.82Å; K60-I169 PolarHBondContact NZ-O 3.1Å; I64-I169 HydrophobicContact CB-CD1 3.65Å; I64-I169 HydrophobicContact CD1-CD1 3.51Å; I64-I169 HydrophobicContact CG1-CD1 3.45Å; I64-I169 VanDerWaalsContact CG1-CD1 3.45Å; E67-I169 VanDerWaalsContact OE2-CG1 3.25Å; E67-I169 WeakPolarHBondContact OE2-CG1 2.78Å; L166-I169 HydrophobicContact CB-CD1 4.03Å; L166-I169 HydrophobicContact CB-CG1 4.35Å; L166-I169 HydrophobicContact CD2-CD1 3.37Å; L166-I169 HydrophobicContact CD2-CG1 4.48Å; L166-I169 HydrophobicContact CG-CD1 4.25Å; L166-I169 WeakPolarHBondContact O-CB 3.16Å; L166-I169 PolarHBondContact O-N 2.95Å; I169-G171 PolarHBondContact O-N 2.76Å
170E43.9Very low51.7Low93 Ų9347.9 Ų47.944%0.43531%0.305SS..SBendtrans-66.484.8159.6-63.5-165.9159.800107.7S174E170-S174 VanDerWaalsContact C-CB 3.43Å; E170-S174 WeakPolarHBondContact O-CB 3.35Å; E170-S174 PolarHBondContact O-OG 2.98Å
171G38.5Very low49.8Very low22 Ų2249.6 Ų49.623%0.22732%0.323CS..  trans-72.9-170-150.800000116.2I169 G173 S174I169-G171 PolarHBondContact O-N 2.76Å; G171-G173 PolarHBondContact O-N 3.36Å; G171-S174 WeakPolarHBondContact O-CA 3.21Å; G171-S174 WeakPolarHBondContact O-CB 3.43Å; G171-S174 PolarHBondContact O-N 2.94Å; G171-S174 PolarHBondContact O-OG 3.37Å
172A35.8Very low48.2Very low119 Ų11951.7 Ų51.798%0.98334%0.335SS*.THydrogen-bonded Turntrans-56.94.5-177.900000117.2
173G36.6Very low47.2Very low70 Ų7051.9 Ų51.972%0.72234%0.337SS*.THydrogen-bonded Turntrans-110.4916600000114.2G171G171-G173 PolarHBondContact O-N 3.36Å
174S43.9Very low47.3Very low14 Ų1449.7 Ų49.710%0.09833%0.327CS..THydrogen-bonded Turntrans-86.2-7.2-169.966.20000115.1E170 G171 M176 S177 T178E170-S174 VanDerWaalsContact C-CB 3.43Å; E170-S174 WeakPolarHBondContact O-CB 3.35Å; E170-S174 PolarHBondContact O-OG 2.98Å; G171-S174 WeakPolarHBondContact O-CA 3.21Å; G171-S174 WeakPolarHBondContact O-CB 3.43Å; G171-S174 PolarHBondContact O-N 2.94Å; G171-S174 PolarHBondContact O-OG 3.37Å; S174-M176 PolarHBondContact O-N 3.26Å; S174-M176 VanDerWaalsContact O-N 3.12Å; S174-S177 WeakPolarHBondContact CA-OG 3.36Å; S174-S177 WeakPolarHBondContact CB-OG 3.42Å; S174-S177 PolarHBondContact O-N 3.45Å; S174-S177 PolarHBondContact O-OG 3.17Å; S174-T178 PolarHBondContact O-N 2.72Å; S174-T178 PolarHBondContact O-OG1 3.08Å; S174-T178 VanDerWaalsContact O-OG1 3.1Å
175V43.1Very low48Very low33 Ų3350.2 Ų50.220%0.233%0.329CS..Hα-helixtrans-55-36.3176.4-175.70000110.3A179 V190 Q193V175-A179 WeakPolarHBondContact O-CB 3.27Å; V175-A179 PolarHBondContact O-N 2.81Å; V175-V190 WeakPolarHBondContact CG1-O 3.39Å; V175-Q193 HydrophobicContact CB-CG 4.26Å; V175-Q193 HydrophobicContact CG1-CG 3.79Å; V175-Q193 HydrophobicContact CG2-CG 4.38Å
176M34.1Very low49.4Very low136 Ų13650.5 Ų50.567%0.6733%0.329SS*.Hα-helixtrans-72.1-38.8174.9-75.4-168.3155.300113.4S174 A179 C180S174-M176 PolarHBondContact O-N 3.26Å; S174-M176 VanDerWaalsContact O-N 3.12Å; M176-A179 CarbonylContact O-C 3.21Å; M176-A179 PolarHBondContact O-N 2.98Å; M176-C180 WeakPolarHBondContact O-CB 3.25Å; M176-C180 PolarHBondContact O-N 3.21Å; M176-C180 PolarHBondContact O-SG 3.27Å
177S37.1Very low50.9Low69 Ų6949.3 Ų49.348%0.48332%0.323SS..Hα-helixtrans-72.2-34.9177.645.60000113.1S174 C180 G181S174-S177 WeakPolarHBondContact CA-OG 3.36Å; S174-S177 WeakPolarHBondContact CB-OG 3.42Å; S174-S177 PolarHBondContact O-N 3.45Å; S174-S177 PolarHBondContact O-OG 3.17Å; S177-C180 PolarHBondContact O-N 3.26Å; S177-G181 PolarHBondContact O-N 2.76Å
178T43.6Very low52.9Low33 Ų3348.6 Ų48.620%0.20232%0.318CS..Hα-helixtrans-68.7-37.5171-50.40000111S174 C180 G181 V186S174-T178 PolarHBondContact O-N 2.72Å; S174-T178 PolarHBondContact O-OG1 3.08Å; S174-T178 VanDerWaalsContact O-OG1 3.1Å; T178-C180 VanDerWaalsContact C-N 3.28Å; T178-C180 PolarHBondContact O-N 3.33Å; T178-G181 PolarHBondContact O-N 2.69Å; T178-V186 HydrophobicContact CG2-CG2 3.9Å
179A36.8Very low54.8Low22 Ų2242.6 Ų42.618%0.18229%0.292CS..Hα-helixtrans-69.6-22171.900000113.6V175 M176 L191 F228V175-A179 WeakPolarHBondContact O-CB 3.27Å; V175-A179 PolarHBondContact O-N 2.81Å; M176-A179 CarbonylContact O-C 3.21Å; M176-A179 PolarHBondContact O-N 2.98Å; A179-L191 HydrophobicContact CB-CD2 4.23Å; A179-F228 HydrophobicContact CB-CZ 4.33Å
180C30Very low56.7Low106 Ų10642.5 Ų42.572%0.71629%0.293SS*.THydrogen-bonded Turntrans-86.3-4.9173.9-71.60000114.2M176 S177 T178M176-C180 WeakPolarHBondContact O-CB 3.25Å; M176-C180 PolarHBondContact O-N 3.21Å; M176-C180 PolarHBondContact O-SG 3.27Å; S177-C180 PolarHBondContact O-N 3.26Å; T178-C180 VanDerWaalsContact C-N 3.28Å; T178-C180 PolarHBondContact O-N 3.33Å
181G53Low58.5Low37 Ų3739.4 Ų39.438%0.38128%0.279SS..SBendtrans-86.6-116.6175.900000112S177 T178 P183S177-G181 PolarHBondContact O-N 2.76Å; T178-G181 PolarHBondContact O-N 2.69Å; G181-P183 VanDerWaalsContact O-CD 3.28Å; G181-P183 WeakPolarHBondContact O-CD 3.46Å
182T56.8Low60.3Low43 Ų4340.4 Ų40.426%0.26429%0.285SS..  trans-110.384.9174.9-47.20000109.4G184 Y185T182-G184 PolarHBondContact O-N 3.47Å; T182-Y185 HydrophobicContact CG2-CD2 3.95Å; T182-Y185 HydrophobicContact CG2-CE2 3.69Å
183P63.9Low62.2Low15 Ų1541.2 Ų41.210%0.09727%0.268CS..G310 helixtrans-64.7-14.6-168.424.5-35.4000115.2G181 Y185 V186 L227 F228 I231G181-P183 VanDerWaalsContact O-CD 3.28Å; G181-P183 WeakPolarHBondContact O-CD 3.46Å; P183-Y185 PolarHBondContact O-N 2.83Å; P183-Y185 VanDerWaalsContact O-N 3.09Å; P183-V186 WeakPolarHBondContact O-CB 3.15Å; P183-V186 PolarHBondContact O-N 3.25Å; P183-V186 VanDerWaalsContact O-N 3.1Å; P183-L227 HydrophobicContact CG-CD2 3.68Å; P183-F228 HydrophobicContact CB-CD1 4.26Å; P183-F228 HydrophobicContact CB-CE1 3.53Å; P183-F228 HydrophobicContact CB-CZ 4.5Å; P183-F228 HydrophobicContact CG-CE1 3.94Å; P183-I231 WeakPolarHBondContact O-CD1 3.45Å
184G77Confident64Low10 Ų1044.1 Ų44.110%0.10326%0.261CS..G310 helixtrans-60.4-20-176.500000115.6T182T182-G184 PolarHBondContact O-N 3.47Å
185Y83.4Confident65.3Low19 Ų1949.8 Ų49.88%0.07530%0.297CS..G310 helixtrans-99.3-5179.9-56.5-81.7000113.7K144 P145 T182 P183 S204 V207 I208 I211K144-Y185 HydrophobicContact CB-CD2 4.15Å; K144-Y185 HydrophobicContact CB-CE2 4.5Å; K144-Y185 HydrophobicContact CB-CG 4.31Å; P145-Y185 HydrophobicContact CG-CE1 3.93Å; P145-Y185 VanDerWaalsContact CG-OH 3.29Å; P145-Y185 WeakPolarHBondContact CG-OH 3.48Å; T182-Y185 HydrophobicContact CG2-CD2 3.95Å; T182-Y185 HydrophobicContact CG2-CE2 3.69Å; P183-Y185 PolarHBondContact O-N 2.83Å; P183-Y185 VanDerWaalsContact O-N 3.09Å; Y185-S204 PolarHBondContact O-OG 3.49Å; Y185-V207 HydrophobicContact CD1-CB 3.98Å; Y185-V207 HydrophobicContact CD1-CG1 3.38Å; Y185-V207 HydrophobicContact CE1-CB 4.49Å; Y185-V207 HydrophobicContact CE1-CG1 3.58Å; Y185-V207 HydrophobicContact CG-CG1 4.27Å; Y185-I208 HydrophobicContact CD1-CG1 4.28Å; Y185-I208 HydrophobicContact CE1-CG1 4.22Å; Y185-I211 HydrophobicContact CE1-CD1 3.57Å; Y185-I211 VanDerWaalsContact OH-CD1 3.29Å; Y185-I211 WeakPolarHBondContact OH-CD1 3.29Å
186V85.3Confident66.6Low16 Ų1652.2 Ų52.210%0.09730%0.304CS..SBendtrans-83.4133.6-173.1-1790000110T178 P183 V190 L191 W203 I231T178-V186 HydrophobicContact CG2-CG2 3.9Å; P183-V186 WeakPolarHBondContact O-CB 3.15Å; P183-V186 PolarHBondContact O-N 3.25Å; P183-V186 VanDerWaalsContact O-N 3.1Å; V186-V190 HydrophobicContact CG1-CB 3.57Å; V186-V190 HydrophobicContact CG1-CG1 3.55Å; V186-V190 HydrophobicContact CG1-CG2 4.45Å; V186-L191 HydrophobicContact CB-CD2 4.34Å; V186-L191 HydrophobicContact CB-CG 4.45Å; V186-L191 HydrophobicContact CG1-CD2 3.89Å; V186-L191 HydrophobicContact CG1-CG 3.94Å; V186-W203 PolarHBondContact O-NE1 2.81Å; V186-W203 VanDerWaalsContact O-NE1 3.17Å; V186-I231 WeakPolarHBondContact O-CG2 3.46Å
187A87.5Confident68.8Low1 Ų148.8 Ų48.81%0.00829%0.293CS..  trans-68.5150.4179.700000112.6E189 V190 L191 V200 W203A187-E189 VanDerWaalsContact C-N 3.26Å; A187-E189 HydrophobicContact CB-CG 4.42Å; A187-E189 PolarHBondContact O-N 2.81Å; A187-V190 HydrophobicContact CB-CG2 4.29Å; A187-V190 WeakPolarHBondContact O-CB 3.37Å; A187-V190 PolarHBondContact O-N 3.17Å; A187-L191 PolarHBondContact O-N 2.73Å; A187-V200 HydrophobicContact CB-CB 4.05Å; A187-V200 HydrophobicContact CB-CG1 3.98Å; A187-W203 HydrophobicContact CB-CB 3.8Å; A187-W203 HydrophobicContact CB-CD2 4.36Å; A187-W203 HydrophobicContact CB-CG 3.78Å
188P90.6Very high71.3Confident6 Ų649.7 Ų49.74%0.03929%0.289CS..Hα-helixtrans-56-38.5-177.8-25.734.2000113.4V190 L191 A192 W203 I231 L232P188-V190 VanDerWaalsContact C-N 3.31Å; P188-V190 PolarHBondContact O-N 3.48Å; P188-L191 PolarHBondContact O-N 3.19Å; P188-A192 VanDerWaalsContact O-CB 3.28Å; P188-A192 WeakPolarHBondContact O-CB 3.42Å; P188-A192 PolarHBondContact O-N 3.15Å; P188-W203 HydrophobicContact CG-CD2 4.44Å; P188-W203 HydrophobicContact CG-CE3 4.11Å; P188-W203 HydrophobicContact CG-CH2 3.46Å; P188-W203 VanDerWaalsContact CG-CH2 3.46Å; P188-W203 HydrophobicContact CG-CZ2 3.82Å; P188-W203 HydrophobicContact CG-CZ3 3.62Å; P188-I231 HydrophobicContact CG-CG2 4.35Å; P188-I231 WeakPolarHBondContact CG-O 3.2Å; P188-L232 WeakPolarHBondContact O-CD2 3.43Å
189E86.3Confident73.6Confident10 Ų1048.7 Ų48.75%0.04728%0.284CS..Hα-helixtrans-67.6-29.1179.163-89.4-153.800113.5A187 Q193 K194 V200 R265A187-E189 VanDerWaalsContact C-N 3.26Å; A187-E189 HydrophobicContact CB-CG 4.42Å; A187-E189 PolarHBondContact O-N 2.81Å; E189-Q193 PolarHBondContact O-N 3.19Å; E189-K194 HydrophobicContact CB-CB 4.25Å; E189-K194 PolarHBondContact O-N 3Å; E189-V200 HydrophobicContact CG-CG1 4.23Å; E189-R265 IonicContact OE1-CZ 3.39Å; E189-R265 IonicContact OE1-NH1 3.88Å; E189-R265 PolarHBondContact OE1-NH1 3.19Å; E189-R265 IonicContact OE1-NH2 3.69Å; E189-R265 IonicContact OE2-CZ 3.18Å; E189-R265 IonicContact OE2-NH1 2.69Å; E189-R265 IonicContact OE2-NH2 3.32Å; E189-R265 PolarHBondContact OE2-NH2 3.04Å
190V83.4Confident76.2Confident19 Ų1948 Ų4812%0.11528%0.277CS..Hα-helixtrans-71.7-47.1175.8177.60000109.3V175 V186 A187 P188 A192 Q193 Y196 V200V175-V190 WeakPolarHBondContact CG1-O 3.39Å; V186-V190 HydrophobicContact CG1-CB 3.57Å; V186-V190 HydrophobicContact CG1-CG1 3.55Å; V186-V190 HydrophobicContact CG1-CG2 4.45Å; A187-V190 HydrophobicContact CB-CG2 4.29Å; A187-V190 WeakPolarHBondContact O-CB 3.37Å; A187-V190 PolarHBondContact O-N 3.17Å; P188-V190 VanDerWaalsContact C-N 3.31Å; P188-V190 PolarHBondContact O-N 3.48Å; V190-A192 VanDerWaalsContact C-N 3.28Å; V190-A192 PolarHBondContact O-N 2.94Å; V190-Q193 PolarHBondContact O-N 2.98Å; V190-Y196 HydrophobicContact CG2-CD1 4.16Å; V190-Y196 HydrophobicContact CG2-CG 4.05Å; V190-V200 HydrophobicContact CG2-CB 4.29Å; V190-V200 HydrophobicContact CG2-CG1 3.58Å
191L81.1Confident79.2Confident28 Ų2842.9 Ų42.915%0.14724%0.243CC..Hα-helixtrans-61.1-37.7174.7-66.7-176.9000112.2A179 V186 A187 P188 Q193 F228 I231 L232A179-L191 HydrophobicContact CB-CD2 4.23Å; V186-L191 HydrophobicContact CB-CD2 4.34Å; V186-L191 HydrophobicContact CB-CG 4.45Å; V186-L191 HydrophobicContact CG1-CD2 3.89Å; V186-L191 HydrophobicContact CG1-CG 3.94Å; A187-L191 PolarHBondContact O-N 2.73Å; P188-L191 PolarHBondContact O-N 3.19Å; L191-Q193 PolarHBondContact O-N 2.72Å; L191-F228 HydrophobicContact CD1-CD1 3.97Å; L191-F228 HydrophobicContact CD2-CD1 4.26Å; L191-F228 HydrophobicContact CD2-CE1 4.31Å; L191-I231 HydrophobicContact CD1-CB 3.81Å; L191-I231 HydrophobicContact CD1-CD1 3.97Å; L191-I231 HydrophobicContact CD1-CG2 3.5Å; L191-L232 HydrophobicContact CB-CD2 3.99Å
192A78.1Confident81.3Confident43 Ų4341.2 Ų41.236%0.35523%0.225SC..THydrogen-bonded Turntrans-74.94176.200000114P188 V190 K194 L232P188-A192 VanDerWaalsContact O-CB 3.28Å; P188-A192 WeakPolarHBondContact O-CB 3.42Å; P188-A192 PolarHBondContact O-N 3.15Å; V190-A192 VanDerWaalsContact C-N 3.28Å; V190-A192 PolarHBondContact O-N 2.94Å; A192-K194 HydrophobicContact CB-CD 4.24Å; A192-K194 HydrophobicContact CB-CG 4.08Å; A192-K194 PolarHBondContact O-N 3.1Å; A192-K194 VanDerWaalsContact O-N 3.15Å; A192-L232 HydrophobicContact CB-CD2 3.99Å
193Q75.7Confident83.2Confident135 Ų13539.1 Ų39.163%0.63121%0.212SC*.THydrogen-bonded Turntrans54.331.8-178.4-63.2178.1600113.4V175 E189 V190 L191V175-Q193 HydrophobicContact CB-CG 4.26Å; V175-Q193 HydrophobicContact CG1-CG 3.79Å; V175-Q193 HydrophobicContact CG2-CG 4.38Å; E189-Q193 PolarHBondContact O-N 3.19Å; V190-Q193 PolarHBondContact O-N 2.98Å; L191-Q193 PolarHBondContact O-N 2.72Å
194K73.4Confident84.7Confident131 Ų13138.7 Ų38.757%0.5721%0.209SC*.  trans-86.6157.4176.4-67.6-178.9-179178.30110.2E189 A192 Y196E189-K194 HydrophobicContact CB-CB 4.25Å; E189-K194 PolarHBondContact O-N 3Å; A192-K194 HydrophobicContact CB-CD 4.24Å; A192-K194 HydrophobicContact CB-CG 4.08Å; A192-K194 PolarHBondContact O-N 3.1Å; A192-K194 VanDerWaalsContact O-N 3.15Å; K194-Y196 PolarHBondContact O-N 3.38Å
195P71.3Confident85.7Confident133 Ų13338.2 Ų38.286%0.86421%0.205SC*.  trans-54127166.4-22.933.6000109.6
196Y69.8Low86.4Confident84 Ų8437.3 Ų37.333%0.32920%0.201SC..  trans-119.1159.3-17861.1-96.6000110.8R141 V190 K194 V200R141-Y196 HydrophobicContact CG-CE2 4.26Å; R141-Y196 PolarHBondContact NH1-OH 3.02Å; R141-Y196 VanDerWaalsContact NH1-OH 3.16Å; V190-Y196 HydrophobicContact CG2-CD1 4.16Å; V190-Y196 HydrophobicContact CG2-CG 4.05Å; K194-Y196 PolarHBondContact O-N 3.38Å; Y196-V200 HydrophobicContact CD2-CG1 4.11Å; Y196-V200 HydrophobicContact CD2-CG2 4.45Å; Y196-V200 HydrophobicContact CG-CG1 4.17Å
197S81Confident86.9Confident65 Ų6536.6 Ų36.646%0.45520%0.197SC..  trans-131.8-162.5-174.377.10000110.6A199 V200S197-A199 PolarHBondContact O-N 2.91Å; S197-A199 VanDerWaalsContact O-N 3.14Å; S197-A199 PolarHBondContact OG-N 3.31Å; S197-V200 WeakPolarHBondContact O-CG2 3.46Å; S197-V200 PolarHBondContact O-N 2.96Å
198K88.6Confident87.3Confident88 Ų8836.6 Ų36.638%0.38320%0.196SC..THydrogen-bonded Turntrans-52.6-26.1171-69.2170.5179.9-173.70113.9H134 V139 V200 D201H134-K198 HydrophobicContact CB-CD 3.82Å; H134-K198 HydrophobicContact CB-CG 4.27Å; H134-K198 PolarHBondContact CE1-O 3.02Å; H134-K198 WeakPolarHBondContact O-CE 3.24Å; H134-K198 PolarHBondContact O-NZ 2.89Å; V139-K198 HydrophobicContact CG2-CB 4.49Å; V139-K198 HydrophobicContact CG2-CG 3.8Å; K198-V200 PolarHBondContact O-N 3.12Å; K198-V200 VanDerWaalsContact O-N 3.13Å; K198-D201 PolarHBondContact O-N 3.45Å
199A92.1Very high87.6Confident12 Ų1236.3 Ų36.310%0.09919%0.194CC..Hα-helixtrans-62.2-19.9-177.300000114.1S197 D201 C202 W203 P262 R265S197-A199 PolarHBondContact O-N 2.91Å; S197-A199 VanDerWaalsContact O-N 3.14Å; S197-A199 PolarHBondContact OG-N 3.31Å; A199-D201 VanDerWaalsContact C-N 3.33Å; A199-C202 WeakPolarHBondContact O-CB 3.31Å; A199-C202 PolarHBondContact O-N 2.72Å; A199-W203 PolarHBondContact O-N 3.34Å; A199-P262 HydrophobicContact CB-CB 3.9Å; A199-R265 WeakPolarHBondContact O-CD 3.46Å; A199-R265 PolarHBondContact O-NH1 2.98Å
200V91.3Very high88.2Confident6 Ų635.9 Ų35.94%0.03619%0.193CC..Hα-helixtrans-66.9-36177.4-56.50000112V139 A187 E189 V190 Y196 S197 K198 C202 W203 S204V139-V200 HydrophobicContact CG1-CG2 3.78Å; A187-V200 HydrophobicContact CB-CB 4.05Å; A187-V200 HydrophobicContact CB-CG1 3.98Å; E189-V200 HydrophobicContact CG-CG1 4.23Å; V190-V200 HydrophobicContact CG2-CB 4.29Å; V190-V200 HydrophobicContact CG2-CG1 3.58Å; Y196-V200 HydrophobicContact CD2-CG1 4.11Å; Y196-V200 HydrophobicContact CD2-CG2 4.45Å; Y196-V200 HydrophobicContact CG-CG1 4.17Å; S197-V200 WeakPolarHBondContact O-CG2 3.46Å; S197-V200 PolarHBondContact O-N 2.96Å; K198-V200 PolarHBondContact O-N 3.12Å; K198-V200 VanDerWaalsContact O-N 3.13Å; V200-C202 VanDerWaalsContact C-N 3.3Å; V200-C202 PolarHBondContact O-N 3.46Å; V200-W203 WeakPolarHBondContact O-CB 3.32Å; V200-W203 PolarHBondContact O-N 3.4Å; V200-S204 PolarHBondContact O-N 3.2Å; V200-S204 VanDerWaalsContact O-N 3.17Å; V200-S204 PolarHBondContact O-OG 3.24Å
201D92.9Very high88.7Confident0 Ų035 Ų350%019%0.187CC..Hα-helixtrans-66.6-37.7177.3-66.1-21.8000110.1V130 H134 V139 H140 R141 L143 K198 A199 W203 S204 I205V130-D201 HydrophobicContact CG1-CB 3.84Å; H134-D201 IonicContact CD2-OD2 2.67Å; H134-D201 IonicContact CE1-OD2 3.88Å; H134-D201 IonicContact NE2-OD2 2.85Å; H134-D201 PolarHBondContact NE2-OD2 3.16Å; V139-D201 WeakPolarHBondContact CG1-OD2 3.21Å; H140-D201 WeakPolarHBondContact CB-OD1 3.31Å; H140-D201 PolarHBondContact N-OD1 2.83Å; H140-D201 PolarHBondContact N-OD2 3.36Å; R141-D201 PolarHBondContact N-OD1 2.73Å; L143-D201 HydrophobicContact CD1-CB 3.71Å; K198-D201 PolarHBondContact O-N 3.45Å; A199-D201 VanDerWaalsContact C-N 3.33Å; D201-W203 VanDerWaalsContact C-N 3.33Å; D201-W203 PolarHBondContact O-N 3.15Å; D201-S204 PolarHBondContact O-N 3.26Å; D201-I205 VanDerWaalsContact O-CG1 3.27Å; D201-I205 WeakPolarHBondContact O-CG1 3.29Å; D201-I205 PolarHBondContact O-N 3.12Å
202C97.5Very high89.4Confident1 Ų133.7 Ų33.71%0.00718%0.18CC..Hα-helixtrans-62.2-39.7175.4-560000112.1A199 V200 I205 G206 M257 R265 Y266A199-C202 WeakPolarHBondContact O-CB 3.31Å; A199-C202 PolarHBondContact O-N 2.72Å; V200-C202 VanDerWaalsContact C-N 3.3Å; V200-C202 PolarHBondContact O-N 3.46Å; C202-I205 PolarHBondContact O-N 2.78Å; C202-G206 PolarHBondContact O-N 3.26Å; C202-M257 HydrophobicContact CB-CE 3.98Å; C202-M257 HydrophobicContact CB-SD 4.45Å; C202-M257 VanDerWaalsContact O-CE 3.32Å; C202-M257 WeakPolarHBondContact O-CE 3.32Å; C202-R265 HydrophobicContact CB-CG 4.37Å; C202-Y266 VanDerWaalsContact CB-O 3.31Å; C202-Y266 WeakPolarHBondContact CB-O 3.08Å; C202-Y266 PolarHBondContact SG-O 3.25Å
203W96.9Very high90.3Very high0 Ų031.8 Ų31.80%016%0.164CC..Hα-helixtrans-60-49.1174.1175.3-85.3000111.2V186 A187 P188 A199 V200 D201 I205 G206 V207 F219 I231 A234 M258V186-W203 PolarHBondContact O-NE1 2.81Å; V186-W203 VanDerWaalsContact O-NE1 3.17Å; A187-W203 HydrophobicContact CB-CB 3.8Å; A187-W203 HydrophobicContact CB-CD2 4.36Å; A187-W203 HydrophobicContact CB-CG 3.78Å; P188-W203 HydrophobicContact CG-CD2 4.44Å; P188-W203 HydrophobicContact CG-CE3 4.11Å; P188-W203 HydrophobicContact CG-CH2 3.46Å; P188-W203 VanDerWaalsContact CG-CH2 3.46Å; P188-W203 HydrophobicContact CG-CZ2 3.82Å; P188-W203 HydrophobicContact CG-CZ3 3.62Å; A199-W203 PolarHBondContact O-N 3.34Å; V200-W203 WeakPolarHBondContact O-CB 3.32Å; V200-W203 PolarHBondContact O-N 3.4Å; D201-W203 VanDerWaalsContact C-N 3.33Å; D201-W203 PolarHBondContact O-N 3.15Å; W203-I205 VanDerWaalsContact C-N 3.3Å; W203-I205 PolarHBondContact O-N 3.33Å; W203-G206 WeakPolarHBondContact O-CA 3.42Å; W203-G206 PolarHBondContact O-N 3.4Å; W203-V207 PolarHBondContact O-N 3.12Å; W203-F219 HydrophobicContact CH2-CE2 4.16Å; W203-F219 AromaticContact CH2-CZ 3.78Å; W203-F219 HydrophobicContact CH2-CZ 3.78Å; W203-F219 HydrophobicContact CZ2-CD2 4.5Å; W203-F219 AromaticContact CZ2-CE2 3.39Å; W203-F219 HydrophobicContact CZ2-CE2 3.39Å; W203-F219 AromaticContact CZ2-CZ 3.47Å; W203-F219 HydrophobicContact CZ2-CZ 3.47Å; W203-F219 VanDerWaalsContact CZ2-CZ 3.47Å; W203-I231 HydrophobicContact CZ2-CG2 4.09Å; W203-A234 HydrophobicContact CH2-CB 3.78Å; W203-A234 HydrophobicContact CZ3-CB 4.14Å; W203-M258 HydrophobicContact CE3-CB 4.27Å; W203-M258 HydrophobicContact CZ2-CE 4.46Å; W203-M258 HydrophobicContact CZ3-CB 4.15Å; W203-M258 VanDerWaalsContact CZ3-O 3.23Å; W203-M258 WeakPolarHBondContact CZ3-O 3.28Å
204S94.9Very high91.2Very high5 Ų525.3 Ų25.34%0.03513%0.134CC..Hα-helixtrans-60.2-39.9178.9-54.10000112L143 Y185 V200 D201 G206 V207 I208L143-S204 WeakPolarHBondContact O-CB 3.21Å; Y185-S204 PolarHBondContact O-OG 3.49Å; V200-S204 PolarHBondContact O-N 3.2Å; V200-S204 VanDerWaalsContact O-N 3.17Å; V200-S204 PolarHBondContact O-OG 3.24Å; D201-S204 PolarHBondContact O-N 3.26Å; S204-G206 VanDerWaalsContact C-N 3.31Å; S204-G206 PolarHBondContact O-N 2.75Å; S204-V207 PolarHBondContact O-N 3.49Å; S204-I208 WeakPolarHBondContact O-CD1 3.38Å; S204-I208 VanDerWaalsContact O-CG1 3.27Å; S204-I208 WeakPolarHBondContact O-CG1 3.29Å; S204-I208 PolarHBondContact O-N 3.35Å
205I97.8Very high92.1Very high1 Ų119.1 Ų19.11%0.00511%0.107CC..Hα-helixtrans-61.8-39.1173.2-65.4167.7000111.1I123 I126 L127 V130 L143 D201 C202 W203 I208 S209 M257I123-I205 HydrophobicContact CD1-CG2 4.34Å; I123-I205 HydrophobicContact CG2-CG2 4.13Å; I126-I205 HydrophobicContact CG2-CD1 4.03Å; I126-I205 HydrophobicContact CG2-CG1 3.88Å; L127-I205 HydrophobicContact CD2-CD1 3.95Å; L127-I205 HydrophobicContact CD2-CG2 4.17Å; L127-I205 HydrophobicContact CG-CG2 4.46Å; V130-I205 HydrophobicContact CB-CD1 4.18Å; V130-I205 HydrophobicContact CG1-CD1 4.22Å; V130-I205 HydrophobicContact CG2-CD1 4.08Å; L143-I205 HydrophobicContact CD1-CD1 4.26Å; L143-I205 HydrophobicContact CD1-CG1 3.97Å; D201-I205 VanDerWaalsContact O-CG1 3.27Å; D201-I205 WeakPolarHBondContact O-CG1 3.29Å; D201-I205 PolarHBondContact O-N 3.12Å; C202-I205 PolarHBondContact O-N 2.78Å; W203-I205 VanDerWaalsContact C-N 3.3Å; W203-I205 PolarHBondContact O-N 3.33Å; I205-I208 PolarHBondContact O-N 3.38Å; I205-S209 WeakPolarHBondContact O-CB 3.43Å; I205-S209 PolarHBondContact O-N 3.33Å; I205-S209 PolarHBondContact O-OG 3.49Å; I205-M257 HydrophobicContact CB-CE 3.71Å; I205-M257 HydrophobicContact CD1-CE 4.45Å; I205-M257 HydrophobicContact CG2-CE 3.58Å
206G98.1Very high93Very high0 Ų014 Ų140%07%0.07CC..Hα-helixtrans-60.2-46.9173.500000112.6C202 W203 S204 I208 S209 Y210 M258C202-G206 PolarHBondContact O-N 3.26Å; W203-G206 WeakPolarHBondContact O-CA 3.42Å; W203-G206 PolarHBondContact O-N 3.4Å; S204-G206 VanDerWaalsContact C-N 3.31Å; S204-G206 PolarHBondContact O-N 2.75Å; G206-I208 PolarHBondContact O-N 3.42Å; G206-S209 WeakPolarHBondContact O-CB 3.26Å; G206-S209 PolarHBondContact O-N 3.44Å; G206-Y210 PolarHBondContact O-N 3.38Å; G206-M258 VanDerWaalsContact C-SD 3.59Å
207V96.6Very high94Very high1 Ų110.9 Ų10.91%0.0066%0.061CC..Hα-helixtrans-61.2-44175.61770000111.3Y185 W203 S204 S209 Y210 I211 P218 F219 M258Y185-V207 HydrophobicContact CD1-CB 3.98Å; Y185-V207 HydrophobicContact CD1-CG1 3.38Å; Y185-V207 HydrophobicContact CE1-CB 4.49Å; Y185-V207 HydrophobicContact CE1-CG1 3.58Å; Y185-V207 HydrophobicContact CG-CG1 4.27Å; W203-V207 PolarHBondContact O-N 3.12Å; S204-V207 PolarHBondContact O-N 3.49Å; V207-S209 VanDerWaalsContact C-N 3.34Å; V207-S209 PolarHBondContact O-N 3.26Å; V207-Y210 WeakPolarHBondContact O-CB 3.49Å; V207-Y210 PolarHBondContact O-N 3.46Å; V207-I211 HydrophobicContact CG1-CD1 4.1Å; V207-I211 WeakPolarHBondContact O-CG1 3.44Å; V207-I211 PolarHBondContact O-N 3.16Å; V207-I211 VanDerWaalsContact O-N 3.13Å; V207-P218 HydrophobicContact CB-CG 4.39Å; V207-P218 HydrophobicContact CG1-CG 3.92Å; V207-P218 HydrophobicContact CG2-CG 4.22Å; V207-F219 HydrophobicContact CG2-CE2 4.24Å; V207-M258 HydrophobicContact CG2-CE 4.08Å; V207-M258 HydrophobicContact CG2-SD 4.17Å
208I95.4Very high94.7Very high0 Ų08.5 Ų8.50%04%0.043CC..Hα-helixtrans-61.6-44.1176-68.7157.1000110.4L104 I123 L148 Y185 S204 I205 G206 Y210 I211 L212L104-I208 HydrophobicContact CD2-CG2 4.23Å; I123-I208 HydrophobicContact CD1-CG2 4.19Å; L148-I208 HydrophobicContact CD1-CD1 3.85Å; L148-I208 HydrophobicContact CD1-CG2 4.19Å; Y185-I208 HydrophobicContact CD1-CG1 4.28Å; Y185-I208 HydrophobicContact CE1-CG1 4.22Å; S204-I208 WeakPolarHBondContact O-CD1 3.38Å; S204-I208 VanDerWaalsContact O-CG1 3.27Å; S204-I208 WeakPolarHBondContact O-CG1 3.29Å; S204-I208 PolarHBondContact O-N 3.35Å; I205-I208 PolarHBondContact O-N 3.38Å; G206-I208 PolarHBondContact O-N 3.42Å; I208-Y210 VanDerWaalsContact C-N 3.32Å; I208-Y210 PolarHBondContact O-N 3.05Å; I208-I211 PolarHBondContact O-N 3.43Å; I208-L212 HydrophobicContact CG2-CD1 3.85Å; I208-L212 HydrophobicContact CG2-CG 4.22Å; I208-L212 WeakPolarHBondContact O-CB 3.45Å; I208-L212 VanDerWaalsContact O-CG 3.27Å; I208-L212 WeakPolarHBondContact O-CG 3.15Å; I208-L212 PolarHBondContact O-N 2.81Å
209S98.1Very high94.8Very high0 Ų04.4 Ų4.40%03%0.026CC..Hα-helixtrans-60.9-41.2178.1-55.10000111.8I123 I205 G206 V207 L212 L213I123-S209 WeakPolarHBondContact CD1-OG 3.29Å; I123-S209 WeakPolarHBondContact CG1-OG 3.27Å; I205-S209 WeakPolarHBondContact O-CB 3.43Å; I205-S209 PolarHBondContact O-N 3.33Å; I205-S209 PolarHBondContact O-OG 3.49Å; G206-S209 WeakPolarHBondContact O-CB 3.26Å; G206-S209 PolarHBondContact O-N 3.44Å; V207-S209 VanDerWaalsContact C-N 3.34Å; V207-S209 PolarHBondContact O-N 3.26Å; S209-L212 PolarHBondContact O-N 2.96Å; S209-L213 WeakPolarHBondContact O-CG 3.16Å; S209-L213 PolarHBondContact O-N 3.35Å
210Y97.8Very high94.5Very high2 Ų29.5 Ų9.51%0.0084%0.043CC..Hα-helixtrans-57.8-52.1174.5-172.9-74.8000111G206 V207 I208 L212 L213 C214 Y216 P218 Y236 E237 F238 W243 I254G206-Y210 PolarHBondContact O-N 3.38Å; V207-Y210 WeakPolarHBondContact O-CB 3.49Å; V207-Y210 PolarHBondContact O-N 3.46Å; I208-Y210 VanDerWaalsContact C-N 3.32Å; I208-Y210 PolarHBondContact O-N 3.05Å; Y210-L212 VanDerWaalsContact C-N 3.32Å; Y210-L212 PolarHBondContact O-N 2.68Å; Y210-L213 PolarHBondContact O-N 3.26Å; Y210-L213 VanDerWaalsContact O-N 3.12Å; Y210-C214 WeakPolarHBondContact CD1-SG 3.41Å; Y210-C214 WeakPolarHBondContact CE1-SG 3.41Å; Y210-C214 PolarHBondContact O-N 3.22Å; Y210-C214 PolarHBondContact O-SG 2.84Å; Y210-Y216 VanDerWaalsContact CD1-O 3.27Å; Y210-Y216 WeakPolarHBondContact CD1-O 3.44Å; Y210-Y216 AromaticContact CE1-CD2 3.95Å; Y210-Y216 HydrophobicContact CE1-CD2 3.95Å; Y210-Y216 AromaticContact CE1-CE2 3.7Å; Y210-Y216 HydrophobicContact CE1-CE2 3.7Å; Y210-Y216 WeakPolarHBondContact CE1-O 3.42Å; Y210-Y216 AromaticContact CZ-CE2 3.93Å; Y210-Y216 WeakPolarHBondContact OH-CE2 3.19Å; Y210-Y216 PolarHBondContact OH-OH 3.49Å; Y210-P218 HydrophobicContact CD1-CB 3.82Å; Y210-P218 HydrophobicContact CD1-CG 4.12Å; Y210-P218 HydrophobicContact CD2-CB 3.79Å; Y210-P218 HydrophobicContact CD2-CG 4.47Å; Y210-P218 HydrophobicContact CE1-CB 3.94Å; Y210-P218 HydrophobicContact CE2-CB 3.92Å; Y210-P218 HydrophobicContact CG-CB 3.76Å; Y210-P218 HydrophobicContact CG-CG 4.04Å; Y210-Y236 HydrophobicContact CD2-CD2 4.39Å; Y210-Y236 HydrophobicContact CE2-CD2 4.1Å; Y210-E237 WeakPolarHBondContact CE2-O 3.4Å; Y210-E237 PolarHBondContact OH-O 2.92Å; Y210-F238 HydrophobicContact CD2-CD1 4.33Å; Y210-F238 AromaticContact CD2-CE1 3.97Å; Y210-F238 HydrophobicContact CD2-CE1 3.97Å; Y210-F238 AromaticContact CE2-CD1 3.8Å; Y210-F238 HydrophobicContact CE2-CD1 3.8Å; Y210-F238 AromaticContact CE2-CE1 3.87Å; Y210-F238 HydrophobicContact CE2-CE1 3.87Å; Y210-W243 AromaticContact CD1-CZ2 3.84Å; Y210-W243 HydrophobicContact CD1-CZ2 3.84Å; Y210-W243 AromaticContact CD2-CH2 3.84Å; Y210-W243 HydrophobicContact CD2-CH2 3.84Å; Y210-W243 AromaticContact CD2-CZ2 3.47Å; Y210-W243 HydrophobicContact CD2-CZ2 3.47Å; Y210-W243 VanDerWaalsContact CD2-CZ2 3.47Å; Y210-W243 AromaticContact CE1-CZ2 3.74Å; Y210-W243 HydrophobicContact CE1-CZ2 3.74Å; Y210-W243 AromaticContact CE2-CE2 3.88Å; Y210-W243 HydrophobicContact CE2-CH2 4.09Å; Y210-W243 AromaticContact CE2-CZ2 3.36Å; Y210-W243 HydrophobicContact CE2-CZ2 3.36Å; Y210-W243 HydrophobicContact CG-CH2 4.11Å; Y210-W243 AromaticContact CG-CZ2 3.69Å; Y210-W243 HydrophobicContact CG-CZ2 3.69Å; Y210-W243 AromaticContact CZ-CE2 3.77Å; Y210-W243 AromaticContact CZ-CZ2 3.49Å; Y210-W243 VanDerWaalsContact CZ-CZ2 3.49Å; Y210-W243 AromaticContact CZ-NE1 3.6Å; Y210-W243 PolarHBondContact OH-NE1 3.48Å; Y210-I254 HydrophobicContact CD2-CD1 4.46Å; Y210-I254 HydrophobicContact CD2-CG2 4.22Å
211I94.9Very high94.2Very high1 Ų111.3 Ų11.31%0.0055%0.053CC..Hα-helixtrans-65.4-36.6-178.6-59.4160.9000111.3F105 Y185 V207 I208 L213 C214 G215 Y216 P217 F299F105-I211 HydrophobicContact CE1-CB 4.28Å; F105-I211 HydrophobicContact CE1-CG2 3.63Å; F105-I211 HydrophobicContact CE2-CG2 3.87Å; F105-I211 HydrophobicContact CZ-CB 3.77Å; F105-I211 HydrophobicContact CZ-CD1 4.4Å; F105-I211 HydrophobicContact CZ-CG2 3.24Å; Y185-I211 HydrophobicContact CE1-CD1 3.57Å; Y185-I211 VanDerWaalsContact OH-CD1 3.29Å; Y185-I211 WeakPolarHBondContact OH-CD1 3.29Å; V207-I211 HydrophobicContact CG1-CD1 4.1Å; V207-I211 WeakPolarHBondContact O-CG1 3.44Å; V207-I211 PolarHBondContact O-N 3.16Å; V207-I211 VanDerWaalsContact O-N 3.13Å; I208-I211 PolarHBondContact O-N 3.43Å; I211-L213 PolarHBondContact O-N 3.28Å; I211-C214 PolarHBondContact O-N 2.65Å; I211-G215 WeakPolarHBondContact O-CA 3.44Å; I211-G215 PolarHBondContact O-N 3.25Å; I211-Y216 WeakPolarHBondContact CG1-O 3.37Å; I211-P217 HydrophobicContact CD1-CB 4.38Å; I211-P217 HydrophobicContact CG1-CB 4.45Å; I211-F299 HydrophobicContact CG2-CE2 4.41Å; I211-F299 HydrophobicContact CG2-CZ 4.42Å
212L95.4Very high93.7Very high0 Ų019.6 Ų19.60%09%0.092CC..Hα-helixtrans-61.5-23.4176.9-76.3172.8000113.3L104 F105 I108 Y114 A119 L122 I123 I208 S209 Y210L104-L212 HydrophobicContact CD1-CD2 4.07Å; L104-L212 HydrophobicContact CD2-CD2 4.09Å; L104-L212 HydrophobicContact CG-CD2 4.15Å; F105-L212 HydrophobicContact CD1-CD2 4.34Å; F105-L212 HydrophobicContact CE1-CD2 3.79Å; F105-L212 HydrophobicContact CE1-CG 4.24Å; I108-L212 HydrophobicContact CD1-CD2 3.22Å; Y114-L212 WeakPolarHBondContact CE1-O 3.26Å; Y114-L212 PolarHBondContact OH-O 3.11Å; Y114-L212 VanDerWaalsContact OH-O 3.06Å; A119-L212 HydrophobicContact CB-CB 4.3Å; L122-L212 HydrophobicContact CD2-CD1 3.91Å; I123-L212 HydrophobicContact CD1-CD1 3.58Å; I123-L212 HydrophobicContact CG1-CD1 3.95Å; I208-L212 HydrophobicContact CG2-CD1 3.85Å; I208-L212 HydrophobicContact CG2-CG 4.22Å; I208-L212 WeakPolarHBondContact O-CB 3.45Å; I208-L212 VanDerWaalsContact O-CG 3.27Å; I208-L212 WeakPolarHBondContact O-CG 3.15Å; I208-L212 PolarHBondContact O-N 2.81Å; S209-L212 PolarHBondContact O-N 2.96Å; Y210-L212 VanDerWaalsContact C-N 3.32Å; Y210-L212 PolarHBondContact O-N 2.68Å
213L97.3Very high93Very high2 Ų223.4 Ų23.41%0.0111%0.112CC..Hα-helixtrans-99.4-25.4-176.5-68.9174.8000113.9E116 A119 S209 Y210 I211 W243 I246 A250 I254 W276 I287 V291E116-L213 HydrophobicContact CB-CD2 4.22Å; E116-L213 HydrophobicContact CG-CD2 3.91Å; A119-L213 HydrophobicContact CB-CD2 3.85Å; S209-L213 WeakPolarHBondContact O-CG 3.16Å; S209-L213 PolarHBondContact O-N 3.35Å; Y210-L213 PolarHBondContact O-N 3.26Å; Y210-L213 VanDerWaalsContact O-N 3.12Å; I211-L213 PolarHBondContact O-N 3.28Å; L213-W243 HydrophobicContact CB-CH2 3.99Å; L213-W243 HydrophobicContact CB-CZ3 4.27Å; L213-W243 HydrophobicContact CD1-CH2 4.31Å; L213-W243 HydrophobicContact CD1-CZ3 4.23Å; L213-I246 HydrophobicContact CB-CD1 4.33Å; L213-I246 HydrophobicContact CD1-CG2 4.14Å; L213-I246 HydrophobicContact CD2-CD1 4.43Å; L213-A250 HydrophobicContact CD1-CB 3.72Å; L213-I254 HydrophobicContact CD1-CD1 3.91Å; L213-W276 HydrophobicContact CD1-CH2 4.44Å; L213-W276 HydrophobicContact CD1-CZ2 4.06Å; L213-W276 HydrophobicContact CD2-CZ2 4.08Å; L213-W276 HydrophobicContact CG-CZ2 4.47Å; L213-I287 HydrophobicContact CD2-CD1 4.23Å; L213-V291 VanDerWaalsContact O-CG2 3.22Å; L213-V291 WeakPolarHBondContact O-CG2 3.26Å
214C94.5Very high92.4Very high0 Ų028.3 Ų28.30%014%0.138CC..Hα-helixtrans-127-13.8-177.3720000114.7Y210 I211 Y216 W243 Q294Y210-C214 WeakPolarHBondContact CD1-SG 3.41Å; Y210-C214 WeakPolarHBondContact CE1-SG 3.41Å; Y210-C214 PolarHBondContact O-N 3.22Å; Y210-C214 PolarHBondContact O-SG 2.84Å; I211-C214 PolarHBondContact O-N 2.65Å; C214-Y216 HydrophobicContact CB-CD1 3.83Å; C214-Y216 HydrophobicContact CB-CE1 3.56Å; C214-Y216 WeakPolarHBondContact SG-CD1 3.37Å; C214-Y216 WeakPolarHBondContact SG-CE1 3.27Å; C214-Y216 PolarHBondContact SG-O 3.46Å; C214-W243 HydrophobicContact CB-CZ2 3.78Å; C214-Q294 WeakPolarHBondContact O-CB 3.48Å; C214-Q294 WeakPolarHBondContact O-CG 3.38Å
215G92Very high91.9Very high0 Ų031.1 Ų31.10%016%0.161CC..SBendtrans76.813.1178.400000115.9I211 Q294 I295 N298I211-G215 WeakPolarHBondContact O-CA 3.44Å; I211-G215 PolarHBondContact O-N 3.25Å; G215-Q294 CarbonylContact O-C 3.58Å; G215-Q294 WeakPolarHBondContact O-CB 3.13Å; G215-I295 PolarHBondContact O-N 3.15Å; G215-N298 PolarHBondContact O-ND2 3.08Å; G215-N298 VanDerWaalsContact O-ND2 3.07Å
216Y90.3Very high91.4Very high25 Ų2536.3 Ų36.310%0.09818%0.184CC..SBendtrans-137.5153174.567.9-93.8000111.5Y210 I211 C214 D239 Y242 W243 N298Y210-Y216 VanDerWaalsContact CD1-O 3.27Å; Y210-Y216 WeakPolarHBondContact CD1-O 3.44Å; Y210-Y216 AromaticContact CE1-CD2 3.95Å; Y210-Y216 HydrophobicContact CE1-CD2 3.95Å; Y210-Y216 AromaticContact CE1-CE2 3.7Å; Y210-Y216 HydrophobicContact CE1-CE2 3.7Å; Y210-Y216 WeakPolarHBondContact CE1-O 3.42Å; Y210-Y216 AromaticContact CZ-CE2 3.93Å; Y210-Y216 WeakPolarHBondContact OH-CE2 3.19Å; Y210-Y216 PolarHBondContact OH-OH 3.49Å; I211-Y216 WeakPolarHBondContact CG1-O 3.37Å; C214-Y216 HydrophobicContact CB-CD1 3.83Å; C214-Y216 HydrophobicContact CB-CE1 3.56Å; C214-Y216 WeakPolarHBondContact SG-CD1 3.37Å; C214-Y216 WeakPolarHBondContact SG-CE1 3.27Å; C214-Y216 PolarHBondContact SG-O 3.46Å; Y216-D239 WeakPolarHBondContact OH-CB 3.2Å; Y216-D239 PolarHBondContact OH-OD2 3.43Å; Y216-Y242 HydrophobicContact CD1-CD2 4.46Å; Y216-Y242 AromaticContact CE1-CD2 3.57Å; Y216-Y242 HydrophobicContact CE1-CD2 3.57Å; Y216-Y242 HydrophobicContact CE1-CE2 4.31Å; Y216-Y242 AromaticContact CE1-CG 3.76Å; Y216-Y242 HydrophobicContact CE1-CG 3.76Å; Y216-W243 AromaticContact CZ-NE1 3.71Å; Y216-W243 VanDerWaalsContact OH-CD1 3.31Å; Y216-W243 PolarHBondContact OH-NE1 2.72Å; Y216-W243 VanDerWaalsContact OH-NE1 3.13Å; Y216-N298 WeakPolarHBondContact CB-ND2 3.2Å
217P91.6Very high90.9Very high20 Ų2037 Ų3713%0.1319%0.187CC..  trans-72.6145.4-178.629.6-36.3000111.7I211 F219 W304I211-P217 HydrophobicContact CD1-CB 4.38Å; I211-P217 HydrophobicContact CG1-CB 4.45Å; P217-F219 PolarHBondContact O-N 3.44Å; P217-W304 HydrophobicContact CG-CH2 3.71Å; P217-W304 HydrophobicContact CG-CZ2 3.91Å
218P93.9Very high90.5Very high14 Ų1439.6 Ų39.69%0.09120%0.199CC..SBendtrans-67.7-23.8177.725.8-32.5000113.3V207 Y210 Y236 M258V207-P218 HydrophobicContact CB-CG 4.39Å; V207-P218 HydrophobicContact CG1-CG 3.92Å; V207-P218 HydrophobicContact CG2-CG 4.22Å; Y210-P218 HydrophobicContact CD1-CB 3.82Å; Y210-P218 HydrophobicContact CD1-CG 4.12Å; Y210-P218 HydrophobicContact CD2-CB 3.79Å; Y210-P218 HydrophobicContact CD2-CG 4.47Å; Y210-P218 HydrophobicContact CE1-CB 3.94Å; Y210-P218 HydrophobicContact CE2-CB 3.92Å; Y210-P218 HydrophobicContact CG-CB 3.76Å; Y210-P218 HydrophobicContact CG-CG 4.04Å; P218-Y236 HydrophobicContact CB-CG 4.33Å; P218-M258 HydrophobicContact CB-CE 3.85Å; P218-M258 HydrophobicContact CG-CE 3.71Å; P218-M258 HydrophobicContact CG-SD 4.25Å
219F91Very high90.2Very high3 Ų344.1 Ų44.11%0.01322%0.22CC..  trans-123.9122.9177.9-46.5-71.5000109.3W203 V207 P217 L227 Q230 I231 E235 Y236 M258W203-F219 HydrophobicContact CH2-CE2 4.16Å; W203-F219 AromaticContact CH2-CZ 3.78Å; W203-F219 HydrophobicContact CH2-CZ 3.78Å; W203-F219 HydrophobicContact CZ2-CD2 4.5Å; W203-F219 AromaticContact CZ2-CE2 3.39Å; W203-F219 HydrophobicContact CZ2-CE2 3.39Å; W203-F219 AromaticContact CZ2-CZ 3.47Å; W203-F219 HydrophobicContact CZ2-CZ 3.47Å; W203-F219 VanDerWaalsContact CZ2-CZ 3.47Å; V207-F219 HydrophobicContact CG2-CE2 4.24Å; P217-F219 PolarHBondContact O-N 3.44Å; F219-L227 HydrophobicContact CB-CD1 3.62Å; F219-Q230 HydrophobicContact CD1-CB 4.07Å; F219-I231 HydrophobicContact CB-CD1 4.46Å; F219-I231 HydrophobicContact CB-CG1 3.83Å; F219-I231 HydrophobicContact CD1-CG1 4.18Å; F219-I231 HydrophobicContact CD2-CG1 3.84Å; F219-I231 HydrophobicContact CE2-CG1 4.44Å; F219-I231 HydrophobicContact CG-CG1 3.68Å; F219-E235 WeakPolarHBondContact CD1-O 3.26Å; F219-E235 WeakPolarHBondContact CE1-O 3.34Å; F219-Y236 AromaticContact CE1-CD1 3.89Å; F219-Y236 HydrophobicContact CE1-CD1 3.89Å; F219-Y236 HydrophobicContact CE1-CG 4.31Å; F219-Y236 AromaticContact CZ-CD1 3.82Å; F219-Y236 HydrophobicContact CZ-CD1 3.82Å; F219-Y236 HydrophobicContact CZ-CG 4.41Å; F219-M258 HydrophobicContact CD2-CE 4.38Å; F219-M258 HydrophobicContact CE1-CE 4.39Å; F219-M258 HydrophobicContact CE2-CE 3.27Å; F219-M258 HydrophobicContact CZ-CE 3.28Å
220Y86.3Confident89.9Confident118 Ų11846.4 Ų46.446%0.46323%0.231SC..  trans-158.1127.8175.9-177.7-92.3000109.8E222 W304Y220-E222 HydrophobicContact CE1-CG 4.45Å; Y220-W304 HydrophobicContact CD2-CZ2 4.02Å; Y220-W304 HydrophobicContact CE2-CZ2 4.06Å
221D85.8Confident89.6Confident44 Ų4446.3 Ų46.324%0.23523%0.231CC..  trans-146.2148.8165.9-162.3-67.7000107.6N223 K226 L227D221-N223 PolarHBondContact O-N 2.79Å; D221-N223 WeakPolarHBondContact OD1-CB 3.41Å; D221-N223 PolarHBondContact OD1-N 2.93Å; D221-K226 HydrophobicContact CB-CB 3.89Å; D221-K226 VanDerWaalsContact CG-CB 3.47Å; D221-K226 WeakPolarHBondContact OD2-CB 2.98Å; D221-K226 WeakPolarHBondContact OD2-CD 2.8Å; D221-L227 HydrophobicContact CB-CB 4.2Å
222E81.9Confident89.4Confident175 Ų17549.4 Ų49.482%0.81825%0.247SC*.SBendtrans-69.4-18.3174.5-63.6-174.6167.600111.9Y220Y220-E222 HydrophobicContact CE1-CG 4.45Å
223N83.4Confident89.3Confident80 Ų8054.3 Ų54.343%0.42827%0.268SS..SBendtrans-101.3113.5173.9-174.7-33.8000110.5D221 A225 K226 L227D221-N223 PolarHBondContact O-N 2.79Å; D221-N223 WeakPolarHBondContact OD1-CB 3.41Å; D221-N223 PolarHBondContact OD1-N 2.93Å; N223-A225 PolarHBondContact O-N 3.25Å; N223-A225 VanDerWaalsContact O-N 3.11Å; N223-A225 VanDerWaalsContact OD1-CB 3.29Å; N223-A225 WeakPolarHBondContact OD1-CB 3.34Å; N223-A225 PolarHBondContact OD1-N 2.98Å; N223-K226 HydrophobicContact CB-CB 4.31Å; N223-K226 HydrophobicContact CB-CD 4.21Å; N223-K226 HydrophobicContact CB-CG 4.19Å; N223-K226 WeakPolarHBondContact O-CB 3.23Å; N223-K226 PolarHBondContact O-N 3.26Å; N223-L227 PolarHBondContact O-N 3.01Å
224D83.1Confident89.2Confident103 Ų10355.2 Ų55.255%0.55128%0.276SS*.Hα-helixtrans-52.6-36.3179.1-63.8-23.7000113.2K226 L227 F228D224-K226 VanDerWaalsContact C-N 3.34Å; D224-K226 PolarHBondContact O-N 3.47Å; D224-L227 PolarHBondContact O-N 3.45Å; D224-F228 HydrophobicContact CB-CE2 4.09Å; D224-F228 HydrophobicContact CB-CZ 4.3Å; D224-F228 WeakPolarHBondContact O-CB 3.42Å; D224-F228 WeakPolarHBondContact O-CD2 3.15Å; D224-F228 WeakPolarHBondContact O-CG 3.47Å; D224-F228 PolarHBondContact O-N 3.14Å
225A84.4Confident89.2Confident64 Ų6459.3 Ų59.353%0.52930%0.295SS..Hα-helixtrans-66.1-37.2179.100000112.2N223 E229N223-A225 PolarHBondContact O-N 3.25Å; N223-A225 VanDerWaalsContact O-N 3.11Å; N223-A225 VanDerWaalsContact OD1-CB 3.29Å; N223-A225 WeakPolarHBondContact OD1-CB 3.34Å; N223-A225 PolarHBondContact OD1-N 2.98Å; A225-E229 WeakPolarHBondContact O-CB 3.44Å; A225-E229 PolarHBondContact O-N 3.17Å
226K88.1Confident89.4Confident110 Ų11061.4 Ų61.448%0.47830%0.303SS..Hα-helixtrans-73-39.9175.5-70.1-175.1177.8-179.70111.5D221 N223 D224 F228 E229 Q230D221-K226 HydrophobicContact CB-CB 3.89Å; D221-K226 VanDerWaalsContact CG-CB 3.47Å; D221-K226 WeakPolarHBondContact OD2-CB 2.98Å; D221-K226 WeakPolarHBondContact OD2-CD 2.8Å; N223-K226 HydrophobicContact CB-CB 4.31Å; N223-K226 HydrophobicContact CB-CD 4.21Å; N223-K226 HydrophobicContact CB-CG 4.19Å; N223-K226 WeakPolarHBondContact O-CB 3.23Å; N223-K226 PolarHBondContact O-N 3.26Å; D224-K226 VanDerWaalsContact C-N 3.34Å; D224-K226 PolarHBondContact O-N 3.47Å; K226-F228 VanDerWaalsContact C-N 3.33Å; K226-F228 PolarHBondContact O-N 3.2Å; K226-E229 WeakPolarHBondContact O-CB 3.28Å; K226-E229 PolarHBondContact O-N 3.1Å; K226-E229 VanDerWaalsContact O-N 3.16Å; K226-Q230 WeakPolarHBondContact O-CG 3.13Å; K226-Q230 PolarHBondContact O-N 3.09Å
227L87.1Confident89.6Confident14 Ų1464.5 Ų64.57%0.07332%0.318CS..Hα-helixtrans-57.6-47.9173.1174.957.4000110.9P183 F219 D221 N223 D224 E229 Q230 I231P183-L227 HydrophobicContact CG-CD2 3.68Å; F219-L227 HydrophobicContact CB-CD1 3.62Å; D221-L227 HydrophobicContact CB-CB 4.2Å; N223-L227 PolarHBondContact O-N 3.01Å; D224-L227 PolarHBondContact O-N 3.45Å; L227-E229 VanDerWaalsContact C-N 3.31Å; L227-E229 PolarHBondContact O-N 3.37Å; L227-Q230 PolarHBondContact O-N 2.9Å; L227-I231 HydrophobicContact CD1-CD1 3.99Å; L227-I231 HydrophobicContact CD1-CG1 4.38Å; L227-I231 HydrophobicContact CG-CD1 4.05Å; L227-I231 VanDerWaalsContact O-CG1 3.32Å; L227-I231 WeakPolarHBondContact O-CG1 3.38Å; L227-I231 PolarHBondContact O-N 3Å
228F87.4Confident89.9Confident57 Ų5765.5 Ų65.525%0.2532%0.321CS..Hα-helixtrans-62.3-38.9175.2-62.2-31.3000112.2A179 P183 L191 D224 K226 I231 L232A179-F228 HydrophobicContact CB-CZ 4.33Å; P183-F228 HydrophobicContact CB-CD1 4.26Å; P183-F228 HydrophobicContact CB-CE1 3.53Å; P183-F228 HydrophobicContact CB-CZ 4.5Å; P183-F228 HydrophobicContact CG-CE1 3.94Å; L191-F228 HydrophobicContact CD1-CD1 3.97Å; L191-F228 HydrophobicContact CD2-CD1 4.26Å; L191-F228 HydrophobicContact CD2-CE1 4.31Å; D224-F228 HydrophobicContact CB-CE2 4.09Å; D224-F228 HydrophobicContact CB-CZ 4.3Å; D224-F228 WeakPolarHBondContact O-CB 3.42Å; D224-F228 WeakPolarHBondContact O-CD2 3.15Å; D224-F228 WeakPolarHBondContact O-CG 3.47Å; D224-F228 PolarHBondContact O-N 3.14Å; K226-F228 VanDerWaalsContact C-N 3.33Å; K226-F228 PolarHBondContact O-N 3.2Å; F228-I231 PolarHBondContact O-N 3.19Å; F228-L232 VanDerWaalsContact O-CB 3.27Å; F228-L232 WeakPolarHBondContact O-CB 3.44Å; F228-L232 WeakPolarHBondContact O-CG 3.41Å; F228-L232 PolarHBondContact O-N 3.39Å
229E91Very high89.8Confident95 Ų9567.9 Ų67.944%0.44433%0.333SS..Hα-helixtrans-61.5-44.8176-173.3176.5-168.300112A225 K226 L227 L232 K233A225-E229 WeakPolarHBondContact O-CB 3.44Å; A225-E229 PolarHBondContact O-N 3.17Å; K226-E229 WeakPolarHBondContact O-CB 3.28Å; K226-E229 PolarHBondContact O-N 3.1Å; K226-E229 VanDerWaalsContact O-N 3.16Å; L227-E229 VanDerWaalsContact C-N 3.31Å; L227-E229 PolarHBondContact O-N 3.37Å; E229-L232 PolarHBondContact O-N 3.46Å; E229-K233 HydrophobicContact CG-CD 4.12Å; E229-K233 WeakPolarHBondContact O-CB 3.46Å; E229-K233 WeakPolarHBondContact O-CG 3.19Å; E229-K233 PolarHBondContact O-N 3.28Å; E229-K233 VanDerWaalsContact OE1-CE 3.28Å; E229-K233 WeakPolarHBondContact OE1-CE 3.38Å; E229-K233 IonicContact OE1-NZ 3.19Å; E229-K233 PolarHBondContact OE1-NZ 2.9Å
230Q91Very high89.7Confident48 Ų4873.1 Ų73.122%0.22436%0.36CS..Hα-helixtrans-58.2-49.3174.9-72173.1-18.500111.1F219 K226 L227 K233 A234 E235F219-Q230 HydrophobicContact CD1-CB 4.07Å; K226-Q230 WeakPolarHBondContact O-CG 3.13Å; K226-Q230 PolarHBondContact O-N 3.09Å; L227-Q230 PolarHBondContact O-N 2.9Å; Q230-K233 CarbonylContact O-C 3.59Å; Q230-K233 PolarHBondContact O-N 3.27Å; Q230-A234 WeakPolarHBondContact O-CA 3.42Å; Q230-A234 PolarHBondContact O-N 3.31Å; Q230-E235 PolarHBondContact O-N 3.31Å
231I90.8Very high90.1Very high0 Ų071.6 Ų71.60%037%0.365CS..Hα-helixtrans-62.2-48.3179.1-62.7163.1000110.4P183 V186 P188 L191 W203 F219 L227 F228 K233 A234P183-I231 WeakPolarHBondContact O-CD1 3.45Å; V186-I231 WeakPolarHBondContact O-CG2 3.46Å; P188-I231 HydrophobicContact CG-CG2 4.35Å; P188-I231 WeakPolarHBondContact CG-O 3.2Å; L191-I231 HydrophobicContact CD1-CB 3.81Å; L191-I231 HydrophobicContact CD1-CD1 3.97Å; L191-I231 HydrophobicContact CD1-CG2 3.5Å; W203-I231 HydrophobicContact CZ2-CG2 4.09Å; F219-I231 HydrophobicContact CB-CD1 4.46Å; F219-I231 HydrophobicContact CB-CG1 3.83Å; F219-I231 HydrophobicContact CD1-CG1 4.18Å; F219-I231 HydrophobicContact CD2-CG1 3.84Å; F219-I231 HydrophobicContact CE2-CG1 4.44Å; F219-I231 HydrophobicContact CG-CG1 3.68Å; L227-I231 HydrophobicContact CD1-CD1 3.99Å; L227-I231 HydrophobicContact CD1-CG1 4.38Å; L227-I231 HydrophobicContact CG-CD1 4.05Å; L227-I231 VanDerWaalsContact O-CG1 3.32Å; L227-I231 WeakPolarHBondContact O-CG1 3.38Å; L227-I231 PolarHBondContact O-N 3Å; F228-I231 PolarHBondContact O-N 3.19Å; I231-K233 PolarHBondContact O-N 2.98Å; I231-A234 PolarHBondContact O-N 2.83Å
232L90.5Very high90.4Very high66 Ų6673 Ų7335%0.34637%0.367SS..Hα-helixtrans-61.7-27.6179.8-74171.1000113.1P188 L191 A192 F228 E229 K260P188-L232 WeakPolarHBondContact O-CD2 3.43Å; L191-L232 HydrophobicContact CB-CD2 3.99Å; A192-L232 HydrophobicContact CB-CD2 3.99Å; F228-L232 VanDerWaalsContact O-CB 3.27Å; F228-L232 WeakPolarHBondContact O-CB 3.44Å; F228-L232 WeakPolarHBondContact O-CG 3.41Å; F228-L232 PolarHBondContact O-N 3.39Å; E229-L232 PolarHBondContact O-N 3.46Å; L232-K260 WeakPolarHBondContact O-CE 3.33Å; L232-K260 PolarHBondContact O-NZ 3.03Å
233K94.1Very high91.1Very high103 Ų10364.6 Ų64.645%0.44833%0.328SS..Hα-helixtrans-89.5-11.6174.1-69.6178.9-172.31720113.5E229 Q230 I231 E235E229-K233 HydrophobicContact CG-CD 4.12Å; E229-K233 WeakPolarHBondContact O-CB 3.46Å; E229-K233 WeakPolarHBondContact O-CG 3.19Å; E229-K233 PolarHBondContact O-N 3.28Å; E229-K233 VanDerWaalsContact OE1-CE 3.28Å; E229-K233 WeakPolarHBondContact OE1-CE 3.38Å; E229-K233 IonicContact OE1-NZ 3.19Å; E229-K233 PolarHBondContact OE1-NZ 2.9Å; Q230-K233 CarbonylContact O-C 3.59Å; Q230-K233 PolarHBondContact O-N 3.27Å; I231-K233 PolarHBondContact O-N 2.98Å; K233-E235 HydrophobicContact CB-CB 4.1Å
234A94.9Very high91.6Very high21 Ų2165.3 Ų65.317%0.17433%0.332CS..THydrogen-bonded Turntrans52.144.3-166.100000111.5W203 Q230 I231 Y236 K260W203-A234 HydrophobicContact CH2-CB 3.78Å; W203-A234 HydrophobicContact CZ3-CB 4.14Å; Q230-A234 WeakPolarHBondContact O-CA 3.42Å; Q230-A234 PolarHBondContact O-N 3.31Å; I231-A234 PolarHBondContact O-N 2.83Å; A234-Y236 WeakPolarHBondContact O-CD1 3.4Å; A234-Y236 PolarHBondContact O-N 2.79Å; A234-K260 HydrophobicContact CB-CB 3.87Å
235E94.5Very high92Very high85 Ų8564.1 Ų64.140%0.39733%0.325SS..  trans-92.699.1-178.6-171.4167.4-158.200109.5F219 Q230 K233F219-E235 WeakPolarHBondContact CD1-O 3.26Å; F219-E235 WeakPolarHBondContact CE1-O 3.34Å; Q230-E235 PolarHBondContact O-N 3.31Å; K233-E235 HydrophobicContact CB-CB 4.1Å
236Y95.9Very high92.7Very high45 Ų4561.4 Ų61.418%0.17630%0.302CS..  trans-140.1157.7173.863.2-84000109Y210 P218 F219 A234 F238 I254 C255 M258Y210-Y236 HydrophobicContact CD2-CD2 4.39Å; Y210-Y236 HydrophobicContact CE2-CD2 4.1Å; P218-Y236 HydrophobicContact CB-CG 4.33Å; F219-Y236 AromaticContact CE1-CD1 3.89Å; F219-Y236 HydrophobicContact CE1-CD1 3.89Å; F219-Y236 HydrophobicContact CE1-CG 4.31Å; F219-Y236 AromaticContact CZ-CD1 3.82Å; F219-Y236 HydrophobicContact CZ-CD1 3.82Å; F219-Y236 HydrophobicContact CZ-CG 4.41Å; A234-Y236 WeakPolarHBondContact O-CD1 3.4Å; A234-Y236 PolarHBondContact O-N 2.79Å; Y236-F238 HydrophobicContact CE2-CE1 4.29Å; Y236-F238 HydrophobicContact CE2-CE2 4.38Å; Y236-F238 AromaticContact CE2-CZ 3.9Å; Y236-F238 HydrophobicContact CE2-CZ 3.9Å; Y236-I254 HydrophobicContact CE2-CG2 4.16Å; Y236-C255 WeakPolarHBondContact OH-CA 3.49Å; Y236-M258 HydrophobicContact CD1-CE 3.71Å; Y236-M258 HydrophobicContact CD2-CE 4.44Å; Y236-M258 HydrophobicContact CE1-CB 3.91Å; Y236-M258 HydrophobicContact CE1-CE 3.83Å; Y236-M258 HydrophobicContact CG-CE 4.04Å
237E95.3Very high93.1Very high90 Ų9056.8 Ų56.842%0.42128%0.284SS..  trans-130.7161.4-178-62.4-170.1175.300110.8Y210Y210-E237 WeakPolarHBondContact CE2-O 3.4Å; Y210-E237 PolarHBondContact OH-O 2.92Å
238F96.8Very high93.7Very high40 Ų4062.3 Ų62.318%0.17531%0.313CS..  trans-10277.2173.2-61.8-61.5000108.4Y210 Y236 W243 K251 I254Y210-F238 HydrophobicContact CD2-CD1 4.33Å; Y210-F238 AromaticContact CD2-CE1 3.97Å; Y210-F238 HydrophobicContact CD2-CE1 3.97Å; Y210-F238 AromaticContact CE2-CD1 3.8Å; Y210-F238 HydrophobicContact CE2-CD1 3.8Å; Y210-F238 AromaticContact CE2-CE1 3.87Å; Y210-F238 HydrophobicContact CE2-CE1 3.87Å; Y236-F238 HydrophobicContact CE2-CE1 4.29Å; Y236-F238 HydrophobicContact CE2-CE2 4.38Å; Y236-F238 AromaticContact CE2-CZ 3.9Å; Y236-F238 HydrophobicContact CE2-CZ 3.9Å; F238-W243 VanDerWaalsContact C-CD1 3.42Å; F238-W243 HydrophobicContact CB-CB 3.86Å; F238-W243 HydrophobicContact CB-CD2 3.88Å; F238-W243 HydrophobicContact CB-CE3 4.24Å; F238-W243 HydrophobicContact CB-CG 3.68Å; F238-W243 AromaticContact CD1-CD2 3.49Å; F238-W243 HydrophobicContact CD1-CD2 3.49Å; F238-W243 VanDerWaalsContact CD1-CD2 3.49Å; F238-W243 AromaticContact CD1-CE2 3.63Å; F238-W243 AromaticContact CD1-CE3 3.42Å; F238-W243 HydrophobicContact CD1-CE3 3.42Å; F238-W243 VanDerWaalsContact CD1-CE3 3.42Å; F238-W243 HydrophobicContact CD1-CG 4.22Å; F238-W243 AromaticContact CD1-CH2 3.73Å; F238-W243 HydrophobicContact CD1-CH2 3.73Å; F238-W243 AromaticContact CD1-CZ2 3.78Å; F238-W243 HydrophobicContact CD1-CZ2 3.78Å; F238-W243 AromaticContact CD1-CZ3 3.53Å; F238-W243 HydrophobicContact CD1-CZ3 3.53Å; F238-W243 HydrophobicContact CE1-CD2 4.44Å; F238-W243 HydrophobicContact CE1-CE3 4.04Å; F238-W243 AromaticContact CE1-CH2 3.75Å; F238-W243 HydrophobicContact CE1-CH2 3.75Å; F238-W243 HydrophobicContact CE1-CZ2 4.15Å; F238-W243 AromaticContact CE1-CZ3 3.67Å; F238-W243 HydrophobicContact CE1-CZ3 3.67Å; F238-W243 HydrophobicContact CG-CD2 4.11Å; F238-W243 HydrophobicContact CG-CE3 4.11Å; F238-W243 HydrophobicContact CG-CG 4.43Å; F238-K251 HydrophobicContact CD1-CG 4.14Å; F238-K251 HydrophobicContact CD2-CB 4.22Å; F238-K251 HydrophobicContact CD2-CD 4.26Å; F238-K251 HydrophobicContact CD2-CG 4.07Å; F238-K251 HydrophobicContact CE1-CB 4.35Å; F238-K251 HydrophobicContact CE1-CG 4.14Å; F238-K251 HydrophobicContact CE2-CB 3.79Å; F238-K251 HydrophobicContact CE2-CG 4.09Å; F238-K251 HydrophobicContact CG-CD 4.34Å; F238-K251 HydrophobicContact CG-CG 4.09Å; F238-K251 HydrophobicContact CZ-CB 3.85Å; F238-K251 HydrophobicContact CZ-CG 4.11Å; F238-I254 HydrophobicContact CE1-CB 4.4Å; F238-I254 HydrophobicContact CE1-CD1 4.28Å; F238-I254 HydrophobicContact CE1-CG2 4.11Å; F238-I254 HydrophobicContact CZ-CB 4.26Å; F238-I254 HydrophobicContact CZ-CG2 4.08Å
239D92.1Very high94.2Very high64 Ų6460.7 Ų60.734%0.34231%0.309SS..  trans-67140.5-167.9-51.1-66.6000114Y216 Y242 W243Y216-D239 WeakPolarHBondContact OH-CB 3.2Å; Y216-D239 PolarHBondContact OH-OD2 3.43Å; D239-Y242 PolarHBondContact O-N 3.1Å; D239-Y242 VanDerWaalsContact O-N 3.11Å; D239-W243 VanDerWaalsContact N-CD1 3.31Å; D239-W243 PolarHBondContact O-N 3.49Å; D239-W243 VanDerWaalsContact O-N 3.15Å
240L90.4Very high94.6Very high113 Ų11356.1 Ų56.159%0.59229%0.288SS*.THydrogen-bonded Turntrans-80.7144.7170.5-53-169.5000110.5D244L240-D244 WeakPolarHBondContact CD2-OD1 3.41Å
241P93.3Very high94.9Very high86 Ų8655.7 Ų55.756%0.55829%0.285SS*.THydrogen-bonded Turncis-91.235.236.4-36.2000114.5W243 D244P241-W243 VanDerWaalsContact C-N 3.28Å; P241-W243 PolarHBondContact O-N 3.21Å; P241-D244 WeakPolarHBondContact CA-OD2 3.46Å; P241-D244 PolarHBondContact O-N 2.8Å
242Y92.8Very high95.3Very high73 Ų7358.4 Ų58.429%0.28630%0.3SS..THydrogen-bonded Turntrans-67.6-29-169.1-50.6-67000113.4Y216 D239 Q294Y216-Y242 HydrophobicContact CD1-CD2 4.46Å; Y216-Y242 AromaticContact CE1-CD2 3.57Å; Y216-Y242 HydrophobicContact CE1-CD2 3.57Å; Y216-Y242 HydrophobicContact CE1-CE2 4.31Å; Y216-Y242 AromaticContact CE1-CG 3.76Å; Y216-Y242 HydrophobicContact CE1-CG 3.76Å; D239-Y242 PolarHBondContact O-N 3.1Å; D239-Y242 VanDerWaalsContact O-N 3.11Å; Y242-Q294 HydrophobicContact CD1-CG 4.2Å; Y242-Q294 HydrophobicContact CE1-CG 4.07Å; Y242-Q294 VanDerWaalsContact CE1-NE2 3.26Å
243W96.6Very high95.7Very high0 Ų055.3 Ų55.30%028%0.283CS..THydrogen-bonded Turntrans-1044-177.5-70.989.4000114.4Y210 L213 C214 Y216 F238 D239 P241 D245 I246 K251 I254Y210-W243 AromaticContact CD1-CZ2 3.84Å; Y210-W243 HydrophobicContact CD1-CZ2 3.84Å; Y210-W243 AromaticContact CD2-CH2 3.84Å; Y210-W243 HydrophobicContact CD2-CH2 3.84Å; Y210-W243 AromaticContact CD2-CZ2 3.47Å; Y210-W243 HydrophobicContact CD2-CZ2 3.47Å; Y210-W243 VanDerWaalsContact CD2-CZ2 3.47Å; Y210-W243 AromaticContact CE1-CZ2 3.74Å; Y210-W243 HydrophobicContact CE1-CZ2 3.74Å; Y210-W243 AromaticContact CE2-CE2 3.88Å; Y210-W243 HydrophobicContact CE2-CH2 4.09Å; Y210-W243 AromaticContact CE2-CZ2 3.36Å; Y210-W243 HydrophobicContact CE2-CZ2 3.36Å; Y210-W243 HydrophobicContact CG-CH2 4.11Å; Y210-W243 AromaticContact CG-CZ2 3.69Å; Y210-W243 HydrophobicContact CG-CZ2 3.69Å; Y210-W243 AromaticContact CZ-CE2 3.77Å; Y210-W243 AromaticContact CZ-CZ2 3.49Å; Y210-W243 VanDerWaalsContact CZ-CZ2 3.49Å; Y210-W243 AromaticContact CZ-NE1 3.6Å; Y210-W243 PolarHBondContact OH-NE1 3.48Å; L213-W243 HydrophobicContact CB-CH2 3.99Å; L213-W243 HydrophobicContact CB-CZ3 4.27Å; L213-W243 HydrophobicContact CD1-CH2 4.31Å; L213-W243 HydrophobicContact CD1-CZ3 4.23Å; C214-W243 HydrophobicContact CB-CZ2 3.78Å; Y216-W243 AromaticContact CZ-NE1 3.71Å; Y216-W243 VanDerWaalsContact OH-CD1 3.31Å; Y216-W243 PolarHBondContact OH-NE1 2.72Å; Y216-W243 VanDerWaalsContact OH-NE1 3.13Å; F238-W243 VanDerWaalsContact C-CD1 3.42Å; F238-W243 HydrophobicContact CB-CB 3.86Å; F238-W243 HydrophobicContact CB-CD2 3.88Å; F238-W243 HydrophobicContact CB-CE3 4.24Å; F238-W243 HydrophobicContact CB-CG 3.68Å; F238-W243 AromaticContact CD1-CD2 3.49Å; F238-W243 HydrophobicContact CD1-CD2 3.49Å; F238-W243 VanDerWaalsContact CD1-CD2 3.49Å; F238-W243 AromaticContact CD1-CE2 3.63Å; F238-W243 AromaticContact CD1-CE3 3.42Å; F238-W243 HydrophobicContact CD1-CE3 3.42Å; F238-W243 VanDerWaalsContact CD1-CE3 3.42Å; F238-W243 HydrophobicContact CD1-CG 4.22Å; F238-W243 AromaticContact CD1-CH2 3.73Å; F238-W243 HydrophobicContact CD1-CH2 3.73Å; F238-W243 AromaticContact CD1-CZ2 3.78Å; F238-W243 HydrophobicContact CD1-CZ2 3.78Å; F238-W243 AromaticContact CD1-CZ3 3.53Å; F238-W243 HydrophobicContact CD1-CZ3 3.53Å; F238-W243 HydrophobicContact CE1-CD2 4.44Å; F238-W243 HydrophobicContact CE1-CE3 4.04Å; F238-W243 AromaticContact CE1-CH2 3.75Å; F238-W243 HydrophobicContact CE1-CH2 3.75Å; F238-W243 HydrophobicContact CE1-CZ2 4.15Å; F238-W243 AromaticContact CE1-CZ3 3.67Å; F238-W243 HydrophobicContact CE1-CZ3 3.67Å; F238-W243 HydrophobicContact CG-CD2 4.11Å; F238-W243 HydrophobicContact CG-CE3 4.11Å; F238-W243 HydrophobicContact CG-CG 4.43Å; D239-W243 VanDerWaalsContact N-CD1 3.31Å; D239-W243 PolarHBondContact O-N 3.49Å; D239-W243 VanDerWaalsContact O-N 3.15Å; P241-W243 VanDerWaalsContact C-N 3.28Å; P241-W243 PolarHBondContact O-N 3.21Å; W243-D245 VanDerWaalsContact C-N 3.26Å; W243-D245 PolarHBondContact O-N 3.26Å; W243-I246 HydrophobicContact CD2-CG1 4.47Å; W243-I246 HydrophobicContact CE3-CB 3.76Å; W243-I246 HydrophobicContact CE3-CG1 4Å; W243-I246 HydrophobicContact CE3-CG2 3.65Å; W243-I246 HydrophobicContact CZ3-CB 4.29Å; W243-I246 HydrophobicContact CZ3-CG2 3.67Å; W243-I246 PolarHBondContact O-N 3.23Å; W243-K251 HydrophobicContact CE3-CD 4.5Å; W243-K251 HydrophobicContact CE3-CG 3.9Å; W243-K251 HydrophobicContact CZ3-CG 4.06Å; W243-K251 WeakPolarHBondContact O-CE 3.43Å; W243-K251 PolarHBondContact O-NZ 2.68Å; W243-I254 HydrophobicContact CH2-CD1 3.49Å; W243-I254 VanDerWaalsContact CH2-CD1 3.49Å; W243-I254 HydrophobicContact CZ3-CD1 3.91Å
244D93.1Very high95.9Very high94 Ų9450.4 Ų50.450%0.50326%0.262SS..THydrogen-bonded Turntrans-61.9-37.9178.2-84.5-36000111.6L240 P241L240-D244 WeakPolarHBondContact CD2-OD1 3.41Å; P241-D244 WeakPolarHBondContact CA-OD2 3.46Å; P241-D244 PolarHBondContact O-N 2.8Å
245D92.8Very high96.1Very high78 Ų7850.7 Ų50.742%0.41726%0.262SS..THydrogen-bonded Turntrans-95.34.5-175.3-73.5-33000113.8W243 K285W243-D245 VanDerWaalsContact C-N 3.26Å; W243-D245 PolarHBondContact O-N 3.26Å; D245-K285 HydrophobicContact CB-CD 4.2Å; D245-K285 VanDerWaalsContact CG-CE 3.49Å; D245-K285 IonicContact OD1-NZ 2.77Å; D245-K285 PolarHBondContact OD1-NZ 3.44Å; D245-K285 VanDerWaalsContact OD2-CE 3.26Å; D245-K285 WeakPolarHBondContact OD2-CE 3.27Å; D245-K285 IonicContact OD2-NZ 3.75Å; D245-K285 PolarHBondContact OD2-NZ 3.22Å
246I97.6Very high96.3Very high7 Ų748.1 Ų48.14%0.03625%0.251CS..SBendtrans-97.7130.4-179.6-55.2-59.3000110.4E116 L213 W243 A250 K251 I287E116-I246 HydrophobicContact CG-CD1 4.25Å; E116-I246 WeakPolarHBondContact OE1-CA 3.39Å; L213-I246 HydrophobicContact CB-CD1 4.33Å; L213-I246 HydrophobicContact CD1-CG2 4.14Å; L213-I246 HydrophobicContact CD2-CD1 4.43Å; W243-I246 HydrophobicContact CD2-CG1 4.47Å; W243-I246 HydrophobicContact CE3-CB 3.76Å; W243-I246 HydrophobicContact CE3-CG1 4Å; W243-I246 HydrophobicContact CE3-CG2 3.65Å; W243-I246 HydrophobicContact CZ3-CB 4.29Å; W243-I246 HydrophobicContact CZ3-CG2 3.67Å; W243-I246 PolarHBondContact O-N 3.23Å; I246-A250 HydrophobicContact CG2-CB 3.8Å; I246-K251 VanDerWaalsContact O-CE 3.32Å; I246-K251 WeakPolarHBondContact O-CE 3.49Å; I246-K251 PolarHBondContact O-NZ 3.3Å; I246-I287 HydrophobicContact CD1-CD1 3.87Å; I246-I287 HydrophobicContact CD1-CG2 4.12Å
247S98.1Very high96.4Very high14 Ų1446 Ų4610%0.09824%0.242CC..  trans-58.9145.9-17767.70000113.1E116 S249 A250 K251E116-S247 PolarHBondContact OE1-N 3.46Å; E116-S247 WeakPolarHBondContact OE2-CB 3.21Å; E116-S247 PolarHBondContact OE2-OG 3.2Å; S247-S249 PolarHBondContact O-N 3.41Å; S247-A250 PolarHBondContact O-N 3.19Å; S247-A250 VanDerWaalsContact O-N 3.13Å; S247-A250 WeakPolarHBondContact OG-CB 3.45Å; S247-A250 PolarHBondContact OG-N 3.12Å; S247-A250 VanDerWaalsContact OG-N 3.12Å; S247-K251 PolarHBondContact O-N 3.38Å
248D98.3Very high96.5Very high129 Ų12941.8 Ų41.869%0.6922%0.223SC*.Hα-helixtrans-60.9-27.9172.2-66-29.6000111.6K251 D252D248-K251 PolarHBondContact O-N 3.23Å; D248-K251 IonicContact OD1-NZ 2.62Å; D248-D252 VanDerWaalsContact O-CB 3.29Å; D248-D252 WeakPolarHBondContact O-CB 3.4Å; D248-D252 PolarHBondContact O-N 3.17Å
249S98.6Very high96.6Very high23 Ų2342.9 Ų42.916%0.16123%0.228CC..Hα-helixtrans-68.1-39.3175.6-164.10000112.3S247 D252 F253 H274 T281S247-S249 PolarHBondContact O-N 3.41Å; S249-D252 PolarHBondContact O-N 3.01Å; S249-F253 WeakPolarHBondContact O-CB 3.29Å; S249-F253 PolarHBondContact O-N 3.11Å; S249-H274 PolarHBondContact O-CE1 3.42Å; S249-H274 VanDerWaalsContact O-CE1 3.26Å; S249-T281 VanDerWaalsContact CB-OG1 3.29Å; S249-T281 WeakPolarHBondContact CB-OG1 3.44Å; S249-T281 WeakPolarHBondContact OG-CB 3.34Å; S249-T281 PolarHBondContact OG-OG1 3.13Å
250A98.6Very high96.7Very high0 Ų044.8 Ų44.80%023%0.233CC..Hα-helixtrans-65.5-41.4174.200000111.8L213 I246 S247 F253 I254 W276L213-A250 HydrophobicContact CD1-CB 3.72Å; I246-A250 HydrophobicContact CG2-CB 3.8Å; S247-A250 PolarHBondContact O-N 3.19Å; S247-A250 VanDerWaalsContact O-N 3.13Å; S247-A250 WeakPolarHBondContact OG-CB 3.45Å; S247-A250 PolarHBondContact OG-N 3.12Å; S247-A250 VanDerWaalsContact OG-N 3.12Å; A250-F253 WeakPolarHBondContact O-CB 3.43Å; A250-F253 PolarHBondContact O-N 2.85Å; A250-I254 WeakPolarHBondContact O-CG1 3.38Å; A250-I254 PolarHBondContact O-N 3.13Å; A250-W276 HydrophobicContact CB-CD2 4.24Å; A250-W276 HydrophobicContact CB-CG 4.22Å; A250-W276 HydrophobicContact CB-CZ2 4.35Å; A250-W276 VanDerWaalsContact CB-NE1 3.32Å
251K98.6Very high96.9Very high38 Ų3842.2 Ų42.217%0.16522%0.22CC..Hα-helixtrans-62.4-45.1175.5-66.8167.7-176.9155.30111.2F238 W243 I246 S247 D248 F253 I254 C255F238-K251 HydrophobicContact CD1-CG 4.14Å; F238-K251 HydrophobicContact CD2-CB 4.22Å; F238-K251 HydrophobicContact CD2-CD 4.26Å; F238-K251 HydrophobicContact CD2-CG 4.07Å; F238-K251 HydrophobicContact CE1-CB 4.35Å; F238-K251 HydrophobicContact CE1-CG 4.14Å; F238-K251 HydrophobicContact CE2-CB 3.79Å; F238-K251 HydrophobicContact CE2-CG 4.09Å; F238-K251 HydrophobicContact CG-CD 4.34Å; F238-K251 HydrophobicContact CG-CG 4.09Å; F238-K251 HydrophobicContact CZ-CB 3.85Å; F238-K251 HydrophobicContact CZ-CG 4.11Å; W243-K251 HydrophobicContact CE3-CD 4.5Å; W243-K251 HydrophobicContact CE3-CG 3.9Å; W243-K251 HydrophobicContact CZ3-CG 4.06Å; W243-K251 WeakPolarHBondContact O-CE 3.43Å; W243-K251 PolarHBondContact O-NZ 2.68Å; I246-K251 VanDerWaalsContact O-CE 3.32Å; I246-K251 WeakPolarHBondContact O-CE 3.49Å; I246-K251 PolarHBondContact O-NZ 3.3Å; S247-K251 PolarHBondContact O-N 3.38Å; D248-K251 PolarHBondContact O-N 3.23Å; D248-K251 IonicContact OD1-NZ 2.62Å; K251-F253 PolarHBondContact O-N 3.43Å; K251-I254 PolarHBondContact O-N 3.13Å; K251-C255 PolarHBondContact O-N 3.21Å; K251-C255 PolarHBondContact O-SG 2.94Å
252D98.7Very high96.9Very high58 Ų5840.3 Ų40.331%0.3121%0.208SC..Hα-helixtrans-61-43.1176.2-17366.2000112.1D248 S249 I254 C255 H256 H274D248-D252 VanDerWaalsContact O-CB 3.29Å; D248-D252 WeakPolarHBondContact O-CB 3.4Å; D248-D252 PolarHBondContact O-N 3.17Å; S249-D252 PolarHBondContact O-N 3.01Å; D252-I254 PolarHBondContact O-N 2.76Å; D252-C255 WeakPolarHBondContact O-CB 3.47Å; D252-C255 PolarHBondContact O-N 3.12Å; D252-H256 PolarHBondContact O-N 3.33Å; D252-H256 VanDerWaalsContact O-N 3.11Å; D252-H256 PolarHBondContact O-ND1 2.89Å; D252-H256 IonicContact OD1-CE1 3.96Å; D252-H256 PolarHBondContact OD1-CE1 3.33Å; D252-H256 VanDerWaalsContact OD1-CE1 3.25Å; D252-H256 IonicContact OD1-ND1 2.61Å; D252-H256 IonicContact OD2-CE1 3.25Å; D252-H256 PolarHBondContact OD2-CE1 3.06Å; D252-H256 IonicContact OD2-ND1 3.61Å; D252-H256 PolarHBondContact OD2-ND1 3.19Å; D252-H274 IonicContact OD2-NE2 2.76Å; D252-H274 PolarHBondContact OD2-NE2 2.72Å; D252-H274 VanDerWaalsContact OD2-NE2 3.16Å
253F98.8Very high97Very high0 Ų044.8 Ų44.80%023%0.233CC..Hα-helixtrans-56.4-49.8173.4176.9-100.5000111.6I123 L127 S249 A250 K251 C255 H256 M257 A271 H274 W276 I277I123-F253 HydrophobicContact CG2-CE1 3.91Å; I123-F253 HydrophobicContact CG2-CZ 3.73Å; L127-F253 HydrophobicContact CD1-CE2 4.33Å; L127-F253 HydrophobicContact CD1-CZ 4.08Å; S249-F253 WeakPolarHBondContact O-CB 3.29Å; S249-F253 PolarHBondContact O-N 3.11Å; A250-F253 WeakPolarHBondContact O-CB 3.43Å; A250-F253 PolarHBondContact O-N 2.85Å; K251-F253 PolarHBondContact O-N 3.43Å; F253-C255 VanDerWaalsContact C-N 3.34Å; F253-C255 PolarHBondContact O-N 3.21Å; F253-H256 PolarHBondContact O-N 3.42Å; F253-M257 HydrophobicContact CD1-CG 4.29Å; F253-M257 HydrophobicContact CD2-CG 4.46Å; F253-M257 HydrophobicContact CE1-CG 3.86Å; F253-M257 HydrophobicContact CE2-CG 4.08Å; F253-M257 HydrophobicContact CE2-SD 4.44Å; F253-M257 HydrophobicContact CZ-CE 4.36Å; F253-M257 HydrophobicContact CZ-CG 3.74Å; F253-M257 HydrophobicContact CZ-SD 4.26Å; F253-M257 WeakPolarHBondContact O-CG 3.42Å; F253-M257 PolarHBondContact O-N 2.77Å; F253-M257 VanDerWaalsContact O-N 3.08Å; F253-A271 HydrophobicContact CE2-CB 3.9Å; F253-A271 HydrophobicContact CZ-CB 4.4Å; F253-H274 HydrophobicContact CD2-CB 3.84Å; F253-H274 AromaticContact CD2-CG 3.65Å; F253-H274 AromaticContact CD2-ND1 3.66Å; F253-H274 HydrophobicContact CE2-CB 4.32Å; F253-W276 HydrophobicContact CB-CB 4.28Å; F253-W276 HydrophobicContact CB-CE3 4.13Å; F253-W276 AromaticContact CD1-CE3 3.57Å; F253-W276 HydrophobicContact CD1-CE3 3.57Å; F253-W276 AromaticContact CD1-CZ3 3.7Å; F253-W276 HydrophobicContact CD1-CZ3 3.7Å; F253-W276 HydrophobicContact CD2-CE3 4.25Å; F253-W276 HydrophobicContact CE1-CE3 4.01Å; F253-W276 AromaticContact CE1-CZ3 3.81Å; F253-W276 HydrophobicContact CE1-CZ3 3.81Å; F253-W276 AromaticContact CG-CE3 3.71Å; F253-W276 HydrophobicContact CG-CE3 3.71Å; F253-W276 HydrophobicContact CG-CZ3 4.31Å; F253-W276 HydrophobicContact CZ-CZ3 4.49Å; F253-I277 HydrophobicContact CD2-CG1 4.04Å; F253-I277 HydrophobicContact CE2-CD1 4.06Å; F253-I277 HydrophobicContact CE2-CG1 3.58Å; F253-I277 HydrophobicContact CZ-CD1 4.05Å; F253-I277 HydrophobicContact CZ-CG1 4.08Å
254I98.7Very high97Very high0 Ų051.5 Ų51.50%026%0.262CS..Hα-helixtrans-61-43.3179-71.5167.8000111Y210 L213 Y236 F238 W243 A250 K251 D252 H256 M257 M258Y210-I254 HydrophobicContact CD2-CD1 4.46Å; Y210-I254 HydrophobicContact CD2-CG2 4.22Å; L213-I254 HydrophobicContact CD1-CD1 3.91Å; Y236-I254 HydrophobicContact CE2-CG2 4.16Å; F238-I254 HydrophobicContact CE1-CB 4.4Å; F238-I254 HydrophobicContact CE1-CD1 4.28Å; F238-I254 HydrophobicContact CE1-CG2 4.11Å; F238-I254 HydrophobicContact CZ-CB 4.26Å; F238-I254 HydrophobicContact CZ-CG2 4.08Å; W243-I254 HydrophobicContact CH2-CD1 3.49Å; W243-I254 VanDerWaalsContact CH2-CD1 3.49Å; W243-I254 HydrophobicContact CZ3-CD1 3.91Å; A250-I254 WeakPolarHBondContact O-CG1 3.38Å; A250-I254 PolarHBondContact O-N 3.13Å; K251-I254 PolarHBondContact O-N 3.13Å; D252-I254 PolarHBondContact O-N 2.76Å; I254-H256 VanDerWaalsContact C-N 3.3Å; I254-H256 PolarHBondContact O-N 3.38Å; I254-M257 PolarHBondContact O-N 3.49Å; I254-M257 VanDerWaalsContact O-N 3.15Å; I254-M258 HydrophobicContact CG2-CG 4.25Å; I254-M258 HydrophobicContact CG2-SD 3.68Å; I254-M258 WeakPolarHBondContact O-CB 3.47Å; I254-M258 PolarHBondContact O-N 3.24Å
255C98.5Very high97.2Very high27 Ų2747.3 Ų47.318%0.18224%0.24CC..Hα-helixtrans-55.8-43.9177-73.20000112.5Y236 K251 D252 F253 M258 E259Y236-C255 WeakPolarHBondContact OH-CA 3.49Å; K251-C255 PolarHBondContact O-N 3.21Å; K251-C255 PolarHBondContact O-SG 2.94Å; D252-C255 WeakPolarHBondContact O-CB 3.47Å; D252-C255 PolarHBondContact O-N 3.12Å; F253-C255 VanDerWaalsContact C-N 3.34Å; F253-C255 PolarHBondContact O-N 3.21Å; C255-M258 CarbonylContact O-C 3.59Å; C255-E259 PolarHBondContact O-N 3.38Å
256H98.6Very high97.5Very high32 Ų3246.2 Ų46.215%0.14823%0.23CC..Hα-helixtrans-70.6-32.3178.4-72.699.1000113.4D252 F253 I254 Y266D252-H256 PolarHBondContact O-N 3.33Å; D252-H256 VanDerWaalsContact O-N 3.11Å; D252-H256 PolarHBondContact O-ND1 2.89Å; D252-H256 IonicContact OD1-CE1 3.96Å; D252-H256 PolarHBondContact OD1-CE1 3.33Å; D252-H256 VanDerWaalsContact OD1-CE1 3.25Å; D252-H256 IonicContact OD1-ND1 2.61Å; D252-H256 IonicContact OD2-CE1 3.25Å; D252-H256 PolarHBondContact OD2-CE1 3.06Å; D252-H256 IonicContact OD2-ND1 3.61Å; D252-H256 PolarHBondContact OD2-ND1 3.19Å; F253-H256 PolarHBondContact O-N 3.42Å; I254-H256 VanDerWaalsContact C-N 3.3Å; I254-H256 PolarHBondContact O-N 3.38Å; H256-Y266 HydrophobicContact CB-CD1 3.78Å; H256-Y266 HydrophobicContact CB-CD2 3.69Å; H256-Y266 HydrophobicContact CB-CE1 3.89Å; H256-Y266 HydrophobicContact CB-CE2 3.78Å; H256-Y266 HydrophobicContact CB-CG 3.69Å; H256-Y266 AromaticContact CD2-CD1 3.86Å; H256-Y266 AromaticContact CD2-CE1 3.21Å; H256-Y266 WeakPolarHBondContact CD2-CE1 3.46Å; H256-Y266 AromaticContact CD2-CZ 3.38Å; H256-Y266 AromaticContact CG-CE1 3.69Å; H256-Y266 AromaticContact CG-CE2 3.86Å; H256-Y266 AromaticContact CG-CZ 3.54Å; H256-Y266 AromaticContact NE2-CZ 3.94Å; H256-Y266 PolarHBondContact O-N 3.38Å; H256-Y266 VanDerWaalsContact O-N 3.08Å
257M98.4Very high97.5Very high0 Ų049 Ų490%025%0.248CC..Hα-helixtrans-78.5-35.8177.7-66.5-63.1-79.700112.4L127 C202 I205 F253 I254 E259 R265 A271L127-M257 HydrophobicContact CD2-CE 3.9Å; C202-M257 HydrophobicContact CB-CE 3.98Å; C202-M257 HydrophobicContact CB-SD 4.45Å; C202-M257 VanDerWaalsContact O-CE 3.32Å; C202-M257 WeakPolarHBondContact O-CE 3.32Å; I205-M257 HydrophobicContact CB-CE 3.71Å; I205-M257 HydrophobicContact CD1-CE 4.45Å; I205-M257 HydrophobicContact CG2-CE 3.58Å; F253-M257 HydrophobicContact CD1-CG 4.29Å; F253-M257 HydrophobicContact CD2-CG 4.46Å; F253-M257 HydrophobicContact CE1-CG 3.86Å; F253-M257 HydrophobicContact CE2-CG 4.08Å; F253-M257 HydrophobicContact CE2-SD 4.44Å; F253-M257 HydrophobicContact CZ-CE 4.36Å; F253-M257 HydrophobicContact CZ-CG 3.74Å; F253-M257 HydrophobicContact CZ-SD 4.26Å; F253-M257 WeakPolarHBondContact O-CG 3.42Å; F253-M257 PolarHBondContact O-N 2.77Å; F253-M257 VanDerWaalsContact O-N 3.08Å; I254-M257 PolarHBondContact O-N 3.49Å; I254-M257 VanDerWaalsContact O-N 3.15Å; M257-E259 VanDerWaalsContact C-N 3.34Å; M257-R265 WeakPolarHBondContact O-CD 3.13Å; M257-R265 WeakPolarHBondContact O-CG 3.11Å; M257-A271 HydrophobicContact CE-CB 4.25Å; M257-A271 HydrophobicContact SD-CB 3.67Å
258M97.9Very high97.5Very high2 Ų248.5 Ų48.51%0.0124%0.244CC..THydrogen-bonded Turntrans-98.630.3178.1-62.1-178.654.500112.4W203 G206 V207 P218 F219 Y236 I254 C255W203-M258 HydrophobicContact CE3-CB 4.27Å; W203-M258 HydrophobicContact CZ2-CE 4.46Å; W203-M258 HydrophobicContact CZ3-CB 4.15Å; W203-M258 VanDerWaalsContact CZ3-O 3.23Å; W203-M258 WeakPolarHBondContact CZ3-O 3.28Å; G206-M258 VanDerWaalsContact C-SD 3.59Å; V207-M258 HydrophobicContact CG2-CE 4.08Å; V207-M258 HydrophobicContact CG2-SD 4.17Å; P218-M258 HydrophobicContact CB-CE 3.85Å; P218-M258 HydrophobicContact CG-CE 3.71Å; P218-M258 HydrophobicContact CG-SD 4.25Å; F219-M258 HydrophobicContact CD2-CE 4.38Å; F219-M258 HydrophobicContact CE1-CE 4.39Å; F219-M258 HydrophobicContact CE2-CE 3.27Å; F219-M258 HydrophobicContact CZ-CE 3.28Å; Y236-M258 HydrophobicContact CD1-CE 3.71Å; Y236-M258 HydrophobicContact CD2-CE 4.44Å; Y236-M258 HydrophobicContact CE1-CB 3.91Å; Y236-M258 HydrophobicContact CE1-CE 3.83Å; Y236-M258 HydrophobicContact CG-CE 4.04Å; I254-M258 HydrophobicContact CG2-CG 4.25Å; I254-M258 HydrophobicContact CG2-SD 3.68Å; I254-M258 WeakPolarHBondContact O-CB 3.47Å; I254-M258 PolarHBondContact O-N 3.24Å; C255-M258 CarbonylContact O-C 3.59Å
259E97.8Very high97.5Very high63 Ų6348.2 Ų48.229%0.29424%0.239SC..  trans-70.4131.5171.517154.4-109.800109.9C255 M257 D261 K264 R265C255-E259 PolarHBondContact O-N 3.38Å; M257-E259 VanDerWaalsContact C-N 3.34Å; E259-D261 PolarHBondContact OE1-N 3.37Å; E259-K264 HydrophobicContact CG-CB 3.71Å; E259-R265 HydrophobicContact CB-CB 4.1Å; E259-R265 HydrophobicContact CB-CG 4.37Å; E259-R265 HydrophobicContact CG-CB 4.47Å; E259-R265 VanDerWaalsContact O-CZ 3.29Å; E259-R265 PolarHBondContact O-NE 2.91Å; E259-R265 PolarHBondContact O-NH2 3.29Å
260K95.5Very high97.5Very high103 Ų10351.6 Ų51.645%0.44825%0.252SS..SBendtrans-66-40.4-176.3176.4172.4169.9163.20112L232 A234 P262 R265L232-K260 WeakPolarHBondContact O-CE 3.33Å; L232-K260 PolarHBondContact O-NZ 3.03Å; A234-K260 HydrophobicContact CB-CB 3.87Å; K260-P262 VanDerWaalsContact O-CD 3.27Å; K260-P262 WeakPolarHBondContact O-CD 3.4Å; K260-R265 PolarHBondContact O-NH2 3.34Å
261D94.7Very high97.5Very high60 Ų6051.6 Ų51.632%0.32125%0.252SS..SBendtrans-78.5110.3177.6-175.2-8.4000110.2E259 M263 K264 R265E259-D261 PolarHBondContact OE1-N 3.37Å; D261-M263 PolarHBondContact O-N 2.97Å; D261-M263 WeakPolarHBondContact OD1-CB 3.17Å; D261-M263 PolarHBondContact OD1-N 3.01Å; D261-K264 HydrophobicContact CB-CB 4.22Å; D261-K264 HydrophobicContact CB-CD 4.09Å; D261-K264 HydrophobicContact CB-CG 4.13Å; D261-K264 PolarHBondContact O-N 2.91Å; D261-K264 WeakPolarHBondContact OD2-CE 3.27Å; D261-R265 PolarHBondContact O-N 2.93Å
262P93Very high97.5Very high45 Ų4550.7 Ų50.729%0.29225%0.249SC..THydrogen-bonded Turntrans-62.7-17.1-177.527.4-35.8000113.4A199 K260A199-P262 HydrophobicContact CB-CB 3.9Å; K260-P262 VanDerWaalsContact O-CD 3.27Å; K260-P262 WeakPolarHBondContact O-CD 3.4Å
263M93.8Very high97.5Very high168 Ų16854.8 Ų54.883%0.82827%0.266SS*.THydrogen-bonded Turntrans-80.8-20.2175.3-62.9-58-59.200113.2D261D261-M263 PolarHBondContact O-N 2.97Å; D261-M263 WeakPolarHBondContact OD1-CB 3.17Å; D261-M263 PolarHBondContact OD1-N 3.01Å
264K96.8Very high97.5Very high140 Ų14055.1 Ų55.161%0.60927%0.268SS*.THydrogen-bonded Turntrans-100.1-23.7176.3-63.7-179.1-172.2175.60112.5E259 D261E259-K264 HydrophobicContact CG-CB 3.71Å; D261-K264 HydrophobicContact CB-CB 4.22Å; D261-K264 HydrophobicContact CB-CD 4.09Å; D261-K264 HydrophobicContact CB-CG 4.13Å; D261-K264 PolarHBondContact O-N 2.91Å; D261-K264 WeakPolarHBondContact OD2-CE 3.27Å
265R98Very high97.5Very high6 Ų658.2 Ų58.22%0.02329%0.287CS..SBendtrans-55.8138.4175.8-166.8-177.8-60.9147.87.2110.9E189 A199 C202 M257 E259 K260 D261 T267E189-R265 IonicContact OE1-CZ 3.39Å; E189-R265 IonicContact OE1-NH1 3.88Å; E189-R265 PolarHBondContact OE1-NH1 3.19Å; E189-R265 IonicContact OE1-NH2 3.69Å; E189-R265 IonicContact OE2-CZ 3.18Å; E189-R265 IonicContact OE2-NH1 2.69Å; E189-R265 IonicContact OE2-NH2 3.32Å; E189-R265 PolarHBondContact OE2-NH2 3.04Å; A199-R265 WeakPolarHBondContact O-CD 3.46Å; A199-R265 PolarHBondContact O-NH1 2.98Å; C202-R265 HydrophobicContact CB-CG 4.37Å; M257-R265 WeakPolarHBondContact O-CD 3.13Å; M257-R265 WeakPolarHBondContact O-CG 3.11Å; E259-R265 HydrophobicContact CB-CB 4.1Å; E259-R265 HydrophobicContact CB-CG 4.37Å; E259-R265 HydrophobicContact CG-CB 4.47Å; E259-R265 VanDerWaalsContact O-CZ 3.29Å; E259-R265 PolarHBondContact O-NE 2.91Å; E259-R265 PolarHBondContact O-NH2 3.29Å; K260-R265 PolarHBondContact O-NH2 3.34Å; D261-R265 PolarHBondContact O-N 2.93Å; R265-T267 PolarHBondContact O-N 2.99Å
266Y98.4Very high97.5Very high55 Ų5557 Ų5722%0.21628%0.279CS..PPolyproline II helixtrans-60.8136.2177.6-86.316.6000111.8C202 H256 Q270 A271C202-Y266 VanDerWaalsContact CB-O 3.31Å; C202-Y266 WeakPolarHBondContact CB-O 3.08Å; C202-Y266 PolarHBondContact SG-O 3.25Å; H256-Y266 HydrophobicContact CB-CD1 3.78Å; H256-Y266 HydrophobicContact CB-CD2 3.69Å; H256-Y266 HydrophobicContact CB-CE1 3.89Å; H256-Y266 HydrophobicContact CB-CE2 3.78Å; H256-Y266 HydrophobicContact CB-CG 3.69Å; H256-Y266 AromaticContact CD2-CD1 3.86Å; H256-Y266 AromaticContact CD2-CE1 3.21Å; H256-Y266 WeakPolarHBondContact CD2-CE1 3.46Å; H256-Y266 AromaticContact CD2-CZ 3.38Å; H256-Y266 AromaticContact CG-CE1 3.69Å; H256-Y266 AromaticContact CG-CE2 3.86Å; H256-Y266 AromaticContact CG-CZ 3.54Å; H256-Y266 AromaticContact NE2-CZ 3.94Å; H256-Y266 PolarHBondContact O-N 3.38Å; H256-Y266 VanDerWaalsContact O-N 3.08Å; Y266-Q270 HydrophobicContact CD1-CB 4.32Å; Y266-Q270 HydrophobicContact CD2-CB 4.09Å; Y266-Q270 HydrophobicContact CG-CB 3.96Å; Y266-A271 HydrophobicContact CD2-CB 4.48Å
267T98.3Very high97.5Very high67 Ų6756.1 Ų56.141%0.41128%0.275SS..PPolyproline II helixtrans-74161.1161.960.50000110.1R265 E269 Q270 A271R265-T267 PolarHBondContact O-N 2.99Å; T267-E269 PolarHBondContact O-N 3.14Å; T267-Q270 PolarHBondContact O-N 2.9Å; T267-Q270 VanDerWaalsContact O-N 3.14Å; T267-Q270 WeakPolarHBondContact OG1-CG 3.37Å; T267-Q270 PolarHBondContact OG1-N 3.4Å; T267-Q270 PolarHBondContact OG1-OE1 2.84Å; T267-A271 WeakPolarHBondContact O-CB 3.4Å; T267-A271 PolarHBondContact O-N 3.34Å
268C98.1Very high97.3Very high2 Ų259.8 Ų59.81%0.01430%0.3CS..Hα-helixtrans-57.4-34.7174.9-620000112.4L127 V130 K131 A271 L272L127-C268 HydrophobicContact CD2-CB 4.19Å; V130-C268 VanDerWaalsContact CG1-SG 3.59Å; K131-C268 HydrophobicContact CB-CB 3.77Å; K131-C268 HydrophobicContact CG-CB 4.42Å; C268-A271 PolarHBondContact O-N 3.18Å; C268-L272 WeakPolarHBondContact O-CB 3.32Å; C268-L272 VanDerWaalsContact O-CG 3.26Å; C268-L272 WeakPolarHBondContact O-CG 3.22Å; C268-L272 PolarHBondContact O-N 3.17Å
269E98Very high97.1Very high124 Ų12461.1 Ų61.158%0.57931%0.314SS*.Hα-helixtrans-64.2-45.4176.1-176.5166.9-128.300112.2T267 L272 Q273T267-E269 PolarHBondContact O-N 3.14Å; E269-L272 PolarHBondContact O-N 3.16Å; E269-Q273 WeakPolarHBondContact O-CG 3.36Å; E269-Q273 PolarHBondContact O-N 3.22Å
270Q98.5Very high96.9Very high94 Ų9464.9 Ų64.944%0.43934%0.336SS..Hα-helixtrans-65.4-42.2175.2-71.2163.8-50.400111.8Y266 T267 L272 Q273 H274Y266-Q270 HydrophobicContact CD1-CB 4.32Å; Y266-Q270 HydrophobicContact CD2-CB 4.09Å; Y266-Q270 HydrophobicContact CG-CB 3.96Å; T267-Q270 PolarHBondContact O-N 2.9Å; T267-Q270 VanDerWaalsContact O-N 3.14Å; T267-Q270 WeakPolarHBondContact OG1-CG 3.37Å; T267-Q270 PolarHBondContact OG1-N 3.4Å; T267-Q270 PolarHBondContact OG1-OE1 2.84Å; Q270-L272 VanDerWaalsContact C-N 3.34Å; Q270-L272 PolarHBondContact O-N 2.85Å; Q270-Q273 PolarHBondContact O-N 3.3Å; Q270-Q273 VanDerWaalsContact O-N 3.09Å; Q270-H274 PolarHBondContact O-N 3.25Å
271A98.6Very high97Very high0 Ų062.5 Ų62.50%033%0.33CS..Hα-helixtrans-62.2-38.6178.800000112.5L127 F253 M257 Y266 T267 C268 Q273 H274 I277L127-A271 HydrophobicContact CD1-CB 3.83Å; L127-A271 HydrophobicContact CD2-CB 3.65Å; L127-A271 HydrophobicContact CG-CB 4.42Å; F253-A271 HydrophobicContact CE2-CB 3.9Å; F253-A271 HydrophobicContact CZ-CB 4.4Å; M257-A271 HydrophobicContact CE-CB 4.25Å; M257-A271 HydrophobicContact SD-CB 3.67Å; Y266-A271 HydrophobicContact CD2-CB 4.48Å; T267-A271 WeakPolarHBondContact O-CB 3.4Å; T267-A271 PolarHBondContact O-N 3.34Å; C268-A271 PolarHBondContact O-N 3.18Å; A271-Q273 PolarHBondContact O-N 3.33Å; A271-H274 WeakPolarHBondContact O-CB 3.17Å; A271-H274 PolarHBondContact O-N 3.1Å; A271-H274 VanDerWaalsContact O-N 3.09Å; A271-I277 WeakPolarHBondContact O-CG1 3.27Å
272L98.5Very high97.1Very high19 Ų1959.8 Ų59.810%0.09932%0.316CS..Hα-helixtrans-64.5-23174.6-76.6165.7000113.3L127 K131 C268 E269 Q270 I277 C278L127-L272 HydrophobicContact CB-CD2 3.68Å; L127-L272 HydrophobicContact CB-CG 3.89Å; L127-L272 HydrophobicContact CD1-CD2 4.24Å; L127-L272 HydrophobicContact CD1-CG 4.38Å; K131-L272 HydrophobicContact CB-CD1 4.44Å; K131-L272 HydrophobicContact CD-CD1 3.74Å; C268-L272 WeakPolarHBondContact O-CB 3.32Å; C268-L272 VanDerWaalsContact O-CG 3.26Å; C268-L272 WeakPolarHBondContact O-CG 3.22Å; C268-L272 PolarHBondContact O-N 3.17Å; E269-L272 PolarHBondContact O-N 3.16Å; Q270-L272 VanDerWaalsContact C-N 3.34Å; Q270-L272 PolarHBondContact O-N 2.85Å; L272-I277 HydrophobicContact CD2-CG2 4.34Å; L272-C278 WeakPolarHBondContact O-CB 3.49Å
273Q98.4Very high97.3Very high143 Ų14361 Ų6167%0.66832%0.32SS*.THydrogen-bonded Turntrans-91.70.2175.9-59.7-57.3-54.800113E269 Q270 A271 C278E269-Q273 WeakPolarHBondContact O-CG 3.36Å; E269-Q273 PolarHBondContact O-N 3.22Å; Q270-Q273 PolarHBondContact O-N 3.3Å; Q270-Q273 VanDerWaalsContact O-N 3.09Å; A271-Q273 PolarHBondContact O-N 3.33Å; Q273-C278 VanDerWaalsContact C-SG 3.53Å; Q273-C278 PolarHBondContact O-SG 3.34Å
274H98.7Very high97.4Very high8 Ų857.6 Ų57.64%0.03731%0.305CS..SBendtrans-70.5139.2-179-173.3-89.3000110.8S249 D252 F253 Q270 A271 W276 I277 C278S249-H274 PolarHBondContact O-CE1 3.42Å; S249-H274 VanDerWaalsContact O-CE1 3.26Å; D252-H274 IonicContact OD2-NE2 2.76Å; D252-H274 PolarHBondContact OD2-NE2 2.72Å; D252-H274 VanDerWaalsContact OD2-NE2 3.16Å; F253-H274 HydrophobicContact CD2-CB 3.84Å; F253-H274 AromaticContact CD2-CG 3.65Å; F253-H274 AromaticContact CD2-ND1 3.66Å; F253-H274 HydrophobicContact CE2-CB 4.32Å; Q270-H274 PolarHBondContact O-N 3.25Å; A271-H274 WeakPolarHBondContact O-CB 3.17Å; A271-H274 PolarHBondContact O-N 3.1Å; A271-H274 VanDerWaalsContact O-N 3.09Å; H274-W276 VanDerWaalsContact ND1-CB 3.29Å; H274-W276 WeakPolarHBondContact ND1-CB 3.49Å; H274-W276 PolarHBondContact ND1-N 2.98Å; H274-W276 PolarHBondContact O-N 3.46Å; H274-W276 VanDerWaalsContact O-N 3.1Å; H274-I277 WeakPolarHBondContact O-CA 3.32Å; H274-I277 PolarHBondContact O-N 2.86Å; H274-C278 PolarHBondContact O-N 3.05Å; H274-C278 PolarHBondContact O-SG 2.85Å
275P98.3Very high97.3Very high64 Ų6455.5 Ų55.542%0.41630%0.296SS..Hα-helixtrans-55.5-32.5-177.5-28.735.7000114.9I277 G279 T281P275-I277 PolarHBondContact O-N 3.48Å; P275-G279 CarbonylContact O-C 3.55Å; P275-G279 VanDerWaalsContact O-C 3.29Å; P275-G279 WeakPolarHBondContact O-CA 3.44Å; P275-G279 PolarHBondContact O-N 2.83Å; P275-T281 HydrophobicContact CB-CG2 3.93Å; P275-T281 PolarHBondContact O-OG1 2.84Å
276W98.6Very high97.2Very high1 Ų158.8 Ų58.80%0.00431%0.314CS..Hα-helixtrans-65.9-25.5175.6-171.771.2000113.2E116 A119 S120 I123 L213 A250 F253 H274 T281E116-W276 PolarHBondContact OE2-NE1 3.18Å; A119-W276 HydrophobicContact CB-CH2 4.24Å; A119-W276 HydrophobicContact CB-CZ2 4.18Å; S120-W276 WeakPolarHBondContact CB-O 3.42Å; S120-W276 PolarHBondContact OG-O 3.37Å; I123-W276 HydrophobicContact CB-CZ3 4.17Å; I123-W276 HydrophobicContact CG1-CH2 4.21Å; I123-W276 HydrophobicContact CG1-CZ3 4.16Å; I123-W276 HydrophobicContact CG2-CZ3 4.27Å; L213-W276 HydrophobicContact CD1-CH2 4.44Å; L213-W276 HydrophobicContact CD1-CZ2 4.06Å; L213-W276 HydrophobicContact CD2-CZ2 4.08Å; L213-W276 HydrophobicContact CG-CZ2 4.47Å; A250-W276 HydrophobicContact CB-CD2 4.24Å; A250-W276 HydrophobicContact CB-CG 4.22Å; A250-W276 HydrophobicContact CB-CZ2 4.35Å; A250-W276 VanDerWaalsContact CB-NE1 3.32Å; F253-W276 HydrophobicContact CB-CB 4.28Å; F253-W276 HydrophobicContact CB-CE3 4.13Å; F253-W276 AromaticContact CD1-CE3 3.57Å; F253-W276 HydrophobicContact CD1-CE3 3.57Å; F253-W276 AromaticContact CD1-CZ3 3.7Å; F253-W276 HydrophobicContact CD1-CZ3 3.7Å; F253-W276 HydrophobicContact CD2-CE3 4.25Å; F253-W276 HydrophobicContact CE1-CE3 4.01Å; F253-W276 AromaticContact CE1-CZ3 3.81Å; F253-W276 HydrophobicContact CE1-CZ3 3.81Å; F253-W276 AromaticContact CG-CE3 3.71Å; F253-W276 HydrophobicContact CG-CE3 3.71Å; F253-W276 HydrophobicContact CG-CZ3 4.31Å; F253-W276 HydrophobicContact CZ-CZ3 4.49Å; H274-W276 VanDerWaalsContact ND1-CB 3.29Å; H274-W276 WeakPolarHBondContact ND1-CB 3.49Å; H274-W276 PolarHBondContact ND1-N 2.98Å; H274-W276 PolarHBondContact O-N 3.46Å; H274-W276 VanDerWaalsContact O-N 3.1Å; W276-T281 WeakPolarHBondContact CA-OG1 3.09Å; W276-T281 PolarHBondContact N-OG1 2.91Å; W276-T281 VanDerWaalsContact N-OG1 3.15Å
277I98.4Very high97.1Very high14 Ų1456.8 Ų56.87%0.07231%0.307CS..Hα-helixtrans-96.6-52.7-178.5-62-62000112I123 H124 L127 F253 A271 L272 H274 P275I123-I277 HydrophobicContact CB-CD1 4.04Å; I123-I277 HydrophobicContact CG2-CD1 3.65Å; H124-I277 HydrophobicContact CB-CG2 4.04Å; L127-I277 HydrophobicContact CD1-CD1 4.18Å; L127-I277 HydrophobicContact CD1-CG1 4.12Å; L127-I277 HydrophobicContact CD1-CG2 4.39Å; F253-I277 HydrophobicContact CD2-CG1 4.04Å; F253-I277 HydrophobicContact CE2-CD1 4.06Å; F253-I277 HydrophobicContact CE2-CG1 3.58Å; F253-I277 HydrophobicContact CZ-CD1 4.05Å; F253-I277 HydrophobicContact CZ-CG1 4.08Å; A271-I277 WeakPolarHBondContact O-CG1 3.27Å; L272-I277 HydrophobicContact CD2-CG2 4.34Å; H274-I277 WeakPolarHBondContact O-CA 3.32Å; H274-I277 PolarHBondContact O-N 2.86Å; P275-I277 PolarHBondContact O-N 3.48Å
278C95.9Very high97Very high78 Ų7854.5 Ų54.553%0.52729%0.292SS..Hα-helixtrans-103-4.6-174.270.60000114.6L272 Q273 H274L272-C278 WeakPolarHBondContact O-CB 3.49Å; Q273-C278 VanDerWaalsContact C-SG 3.53Å; Q273-C278 PolarHBondContact O-SG 3.34Å; H274-C278 PolarHBondContact O-N 3.05Å; H274-C278 PolarHBondContact O-SG 2.85Å
279G92.4Very high96.7Very high29 Ų2962.3 Ų62.330%0.29933%0.328SS..SBendtrans-112.8-160.7-179.800000112.7P275P275-G279 CarbonylContact O-C 3.55Å; P275-G279 VanDerWaalsContact O-C 3.29Å; P275-G279 WeakPolarHBondContact O-CA 3.44Å; P275-G279 PolarHBondContact O-N 2.83Å
280D93.3Very high96.5Very high142 Ų14258.7 Ų58.776%0.75932%0.317SS*.SBendtrans-10920.6-173.3-64.3-44.7000113.4
281T97.5Very high96.3Very high53 Ų5354.3 Ų54.333%0.32530%0.296SS..  trans-85.8-13.7-176.961.40000114S249 P275 W276S249-T281 VanDerWaalsContact CB-OG1 3.29Å; S249-T281 WeakPolarHBondContact CB-OG1 3.44Å; S249-T281 WeakPolarHBondContact OG-CB 3.34Å; S249-T281 PolarHBondContact OG-OG1 3.13Å; P275-T281 HydrophobicContact CB-CG2 3.93Å; P275-T281 PolarHBondContact O-OG1 2.84Å; W276-T281 WeakPolarHBondContact CA-OG1 3.09Å; W276-T281 PolarHBondContact N-OG1 2.91Å; W276-T281 VanDerWaalsContact N-OG1 3.15Å
282A97.4Very high96Very high3 Ų354.7 Ų54.73%0.02530%0.299CS..SBendtrans-70.8127.6172.100000110.6E116 R117E116-A282 HydrophobicContact CB-CB 4.35Å; R117-A282 HydrophobicContact CB-CB 4.45Å; R117-A282 PolarHBondContact NH2-O 3.13Å
283L97.3Very high95.7Very high71 Ų7156.1 Ų56.137%0.37231%0.313SS..  trans-80.4145.6-174.9-56.4179.8000113.1E116 R117 K285E116-L283 HydrophobicContact CB-CB 4.5Å; E116-L283 WeakPolarHBondContact CB-O 3.21Å; E116-L283 HydrophobicContact CG-CB 4.29Å; E116-L283 PolarHBondContact N-O 3.3Å; E116-L283 WeakPolarHBondContact OE1-CD1 3.45Å; E116-L283 PolarHBondContact OE2-N 3.29Å; R117-L283 PolarHBondContact N-O 2.93Å; L283-K285 VanDerWaalsContact C-N 3.27Å; L283-K285 HydrophobicContact CB-CB 4.5Å; L283-K285 PolarHBondContact O-N 2.85Å
284D96.4Very high95.3Very high97 Ų9750.4 Ų50.452%0.51929%0.286SS..  trans-88.410.1173.5-65-69000113.2T115 R117 N286T115-D284 WeakPolarHBondContact CG2-O 3.19Å; R117-D284 WeakPolarHBondContact CD-OD1 3.37Å; R117-D284 IonicContact CZ-OD1 3.33Å; R117-D284 IonicContact CZ-OD2 3.16Å; R117-D284 IonicContact NE-OD1 3.44Å; R117-D284 PolarHBondContact NE-OD1 3.28Å; R117-D284 IonicContact NE-OD2 2.73Å; R117-D284 PolarHBondContact NE-OD2 3.43Å; R117-D284 IonicContact NH2-OD1 2.7Å; R117-D284 IonicContact NH2-OD2 2.83Å; R117-D284 PolarHBondContact NH2-OD2 3.23Å; D284-N286 PolarHBondContact O-N 3.07Å
285K94.6Very high94.9Very high95 Ų9550.1 Ų50.141%0.41329%0.285SS..  trans-69.3132178.3-177.5169.4173.8170.80109.6D245 L283 I287D245-K285 HydrophobicContact CB-CD 4.2Å; D245-K285 VanDerWaalsContact CG-CE 3.49Å; D245-K285 IonicContact OD1-NZ 2.77Å; D245-K285 PolarHBondContact OD1-NZ 3.44Å; D245-K285 VanDerWaalsContact OD2-CE 3.26Å; D245-K285 WeakPolarHBondContact OD2-CE 3.27Å; D245-K285 IonicContact OD2-NZ 3.75Å; D245-K285 PolarHBondContact OD2-NZ 3.22Å; L283-K285 VanDerWaalsContact C-N 3.27Å; L283-K285 HydrophobicContact CB-CB 4.5Å; L283-K285 PolarHBondContact O-N 2.85Å; K285-I287 PolarHBondContact O-N 3.32Å; K285-I287 VanDerWaalsContact O-N 3.17Å
286N95.8Very high94.3Very high76 Ų7652.3 Ų52.341%0.40629%0.288SS..  trans-69.8111.1175.6-170.611.5000110.3F113 Y114 D284 H288F113-N286 HydrophobicContact CD2-CB 3.9Å; F113-N286 WeakPolarHBondContact CD2-ND2 3.37Å; F113-N286 HydrophobicContact CE2-CB 3.57Å; F113-N286 HydrophobicContact CZ-CB 4.21Å; Y114-N286 PolarHBondContact N-OD1 2.59Å; Y114-N286 PolarHBondContact O-OD1 3.23Å; D284-N286 PolarHBondContact O-N 3.07Å; N286-H288 WeakPolarHBondContact OD1-CB 3.32Å; N286-H288 PolarHBondContact OD1-N 3.34Å; N286-H288 VanDerWaalsContact OD1-N 3.14Å
287I95.7Very high93.7Very high12 Ų1256.7 Ų56.76%0.06231%0.307CS..  trans-105.63.2176.860.3174000112.1Y114 E116 L213 I246 K285 E289 S290 V291Y114-I287 HydrophobicContact CD1-CD1 4.32Å; Y114-I287 HydrophobicContact CD1-CG1 4.01Å; Y114-I287 HydrophobicContact CE1-CD1 4.25Å; Y114-I287 HydrophobicContact CE1-CG1 4.45Å; Y114-I287 WeakPolarHBondContact O-CG1 3.42Å; Y114-I287 PolarHBondContact O-N 2.79Å; E116-I287 HydrophobicContact CG-CD1 4.34Å; L213-I287 HydrophobicContact CD2-CD1 4.23Å; I246-I287 HydrophobicContact CD1-CD1 3.87Å; I246-I287 HydrophobicContact CD1-CG2 4.12Å; K285-I287 PolarHBondContact O-N 3.32Å; K285-I287 VanDerWaalsContact O-N 3.17Å; I287-E289 PolarHBondContact O-N 3.35Å; I287-S290 PolarHBondContact O-N 3.45Å; I287-V291 HydrophobicContact CB-CG2 4.24Å; I287-V291 HydrophobicContact CD1-CG2 4Å; I287-V291 HydrophobicContact CG1-CG2 4.04Å; I287-V291 WeakPolarHBondContact O-CG2 3.41Å; I287-V291 PolarHBondContact O-N 3.5Å; I287-V291 VanDerWaalsContact O-N 3.1Å
288H95.5Very high92.7Very high20 Ų2057.3 Ų57.39%0.09331%0.311CS..Hα-helixtrans-54-44.4-172-179.7-103000114.5I108 K111 Y114 N286 S290 S292I108-H288 PolarHBondContact O-CD2 2.91Å; I108-H288 PolarHBondContact O-NE2 3.16Å; K111-H288 PolarHBondContact O-CE1 2.98Å; K111-H288 PolarHBondContact O-NE2 2.85Å; Y114-H288 PolarHBondContact O-N 2.88Å; N286-H288 WeakPolarHBondContact OD1-CB 3.32Å; N286-H288 PolarHBondContact OD1-N 3.34Å; N286-H288 VanDerWaalsContact OD1-N 3.14Å; H288-S290 PolarHBondContact O-N 3.43Å; H288-S292 WeakPolarHBondContact O-CB 3.28Å; H288-S292 PolarHBondContact O-N 3.3Å; H288-S292 PolarHBondContact O-OG 2.61Å
289E93.3Very high91.4Very high165 Ų16556.2 Ų56.277%0.77130%0.297SS*.Hα-helixtrans-61.3-48.2-175.7-175.3176.1-17500111.6I287 S292 A293I287-E289 PolarHBondContact O-N 3.35Å; E289-S292 PolarHBondContact O-OG 3.01Å; E289-A293 WeakPolarHBondContact O-CB 3.44Å; E289-A293 PolarHBondContact O-N 3.01Å
290S93.2Very high89.7Confident49 Ų4959 Ų5934%0.34332%0.318SS..Hα-helixtrans-65.1-51.1178.5-1750000111.2I287 H288 A293 Q294I287-S290 PolarHBondContact O-N 3.45Å; H288-S290 PolarHBondContact O-N 3.43Å; S290-A293 PolarHBondContact O-N 3.45Å; S290-Q294 WeakPolarHBondContact O-CG 3.45Å; S290-Q294 PolarHBondContact O-N 3.11Å; S290-Q294 VanDerWaalsContact O-N 3.07Å
291V93.6Very high87.5Confident1 Ų159.7 Ų59.71%0.00631%0.314CS..Hα-helixtrans-63.3-51.7-176.4174.90000111.4I108 Y114 L213 I287 A293 Q294 I295I108-V291 HydrophobicContact CG2-CG1 4.2Å; Y114-V291 HydrophobicContact CE1-CG1 4.35Å; L213-V291 VanDerWaalsContact O-CG2 3.22Å; L213-V291 WeakPolarHBondContact O-CG2 3.26Å; I287-V291 HydrophobicContact CB-CG2 4.24Å; I287-V291 HydrophobicContact CD1-CG2 4Å; I287-V291 HydrophobicContact CG1-CG2 4.04Å; I287-V291 WeakPolarHBondContact O-CG2 3.41Å; I287-V291 PolarHBondContact O-N 3.5Å; I287-V291 VanDerWaalsContact O-N 3.1Å; V291-A293 VanDerWaalsContact C-N 3.29Å; V291-A293 PolarHBondContact O-N 3.48Å; V291-Q294 PolarHBondContact O-N 2.86Å; V291-I295 HydrophobicContact CG1-CD1 3.72Å; V291-I295 HydrophobicContact CG1-CG1 4.28Å; V291-I295 WeakPolarHBondContact O-CG1 3.47Å; V291-I295 PolarHBondContact O-N 3.35Å
292S92.7Very high84.9Confident8 Ų858 Ų586%0.05630%0.304CS..Hα-helixtrans-64.1-34-178.568.20000112.4H288 E289 K296H288-S292 WeakPolarHBondContact O-CB 3.28Å; H288-S292 PolarHBondContact O-N 3.3Å; H288-S292 PolarHBondContact O-OG 2.61Å; E289-S292 PolarHBondContact O-OG 3.01Å; S292-K296 WeakPolarHBondContact O-CB 3.36Å; S292-K296 VanDerWaalsContact O-CG 3.23Å; S292-K296 WeakPolarHBondContact O-CG 3.28Å; S292-K296 PolarHBondContact O-N 2.77Å
293A92.5Very high82.2Confident49 Ų4966.9 Ų66.941%0.40534%0.342SS..Hα-helixtrans-65.9-43.3174.400000111.9E289 S290 V291 K296 K297E289-A293 WeakPolarHBondContact O-CB 3.44Å; E289-A293 PolarHBondContact O-N 3.01Å; S290-A293 PolarHBondContact O-N 3.45Å; V291-A293 VanDerWaalsContact C-N 3.29Å; V291-A293 PolarHBondContact O-N 3.48Å; A293-K296 PolarHBondContact O-N 3.49Å; A293-K297 VanDerWaalsContact O-CB 3.28Å; A293-K297 WeakPolarHBondContact O-CB 3.19Å; A293-K297 PolarHBondContact O-N 2.96Å
294Q91.3Very high79.7Confident23 Ų2366.3 Ų66.311%0.10734%0.335CS..Hα-helixtrans-67.9-42.9175.8-66.9-50.6-42.900111.7C214 G215 Y242 S290 V291 K296 K297 N298C214-Q294 WeakPolarHBondContact O-CB 3.48Å; C214-Q294 WeakPolarHBondContact O-CG 3.38Å; G215-Q294 CarbonylContact O-C 3.58Å; G215-Q294 WeakPolarHBondContact O-CB 3.13Å; Y242-Q294 HydrophobicContact CD1-CG 4.2Å; Y242-Q294 HydrophobicContact CE1-CG 4.07Å; Y242-Q294 VanDerWaalsContact CE1-NE2 3.26Å; S290-Q294 WeakPolarHBondContact O-CG 3.45Å; S290-Q294 PolarHBondContact O-N 3.11Å; S290-Q294 VanDerWaalsContact O-N 3.07Å; V291-Q294 PolarHBondContact O-N 2.86Å; Q294-K296 PolarHBondContact O-N 3.19Å; Q294-K297 PolarHBondContact O-N 3.41Å; Q294-K297 VanDerWaalsContact O-N 3.16Å; Q294-N298 VanDerWaalsContact O-CB 3.3Å; Q294-N298 WeakPolarHBondContact O-CB 3.47Å; Q294-N298 VanDerWaalsContact O-CG 3.31Å; Q294-N298 PolarHBondContact O-N 3.3Å; Q294-N298 PolarHBondContact O-ND2 3.41Å
295I88.8Confident76.9Confident3 Ų368.9 Ų68.92%0.01534%0.342CS..Hα-helixtrans-57.8-51.8174.3-66.8174.4000109.2F105 I108 V109 G215 V291 K297 N298 F299F105-I295 HydrophobicContact CB-CD1 4.47Å; F105-I295 HydrophobicContact CB-CG2 3.98Å; F105-I295 HydrophobicContact CD1-CD1 3.85Å; F105-I295 HydrophobicContact CG-CD1 4.42Å; I108-I295 HydrophobicContact CB-CD1 4.33Å; I108-I295 HydrophobicContact CG2-CD1 3.9Å; V109-I295 HydrophobicContact CG2-CB 3.87Å; V109-I295 HydrophobicContact CG2-CG2 3.48Å; V109-I295 VanDerWaalsContact CG2-CG2 3.48Å; G215-I295 PolarHBondContact O-N 3.15Å; V291-I295 HydrophobicContact CG1-CD1 3.72Å; V291-I295 HydrophobicContact CG1-CG1 4.28Å; V291-I295 WeakPolarHBondContact O-CG1 3.47Å; V291-I295 PolarHBondContact O-N 3.35Å; I295-K297 VanDerWaalsContact C-N 3.28Å; I295-K297 PolarHBondContact O-N 2.91Å; I295-N298 PolarHBondContact O-N 2.62Å; I295-F299 HydrophobicContact CB-CD2 4.14Å; I295-F299 HydrophobicContact CB-CE2 4.34Å; I295-F299 HydrophobicContact CG1-CE2 4.32Å; I295-F299 HydrophobicContact CG2-CD2 3.59Å; I295-F299 HydrophobicContact CG2-CE2 3.92Å; I295-F299 HydrophobicContact CG2-CG 4.15Å; I295-F299 WeakPolarHBondContact O-CB 3.23Å; I295-F299 WeakPolarHBondContact O-CD2 3.3Å; I295-F299 PolarHBondContact O-N 3.5Å
296K86.9Confident74Confident109 Ų10967.6 Ų67.647%0.47435%0.349SS..Hα-helixtrans-55.7-44177-74.8167.6-171.7165.80112.1V109 S292 A293 Q294 A300V109-K296 HydrophobicContact CG1-CD 4.37Å; V109-K296 HydrophobicContact CG1-CG 4.13Å; V109-K296 HydrophobicContact CG2-CG 4.01Å; S292-K296 WeakPolarHBondContact O-CB 3.36Å; S292-K296 VanDerWaalsContact O-CG 3.23Å; S292-K296 WeakPolarHBondContact O-CG 3.28Å; S292-K296 PolarHBondContact O-N 2.77Å; A293-K296 PolarHBondContact O-N 3.49Å; Q294-K296 PolarHBondContact O-N 3.19Å; K296-A300 WeakPolarHBondContact O-CB 2.93Å; K296-A300 PolarHBondContact O-N 2.89Å
297K86.1Confident71.1Confident93 Ų9368 Ų6840%0.40435%0.354SS..Hα-helixtrans-66.8-46.8-178.4-177.2-178.3174.1-169.10112.2A293 Q294 I295 K301A293-K297 VanDerWaalsContact O-CB 3.28Å; A293-K297 WeakPolarHBondContact O-CB 3.19Å; A293-K297 PolarHBondContact O-N 2.96Å; Q294-K297 PolarHBondContact O-N 3.41Å; Q294-K297 VanDerWaalsContact O-N 3.16Å; I295-K297 VanDerWaalsContact C-N 3.28Å; I295-K297 PolarHBondContact O-N 2.91Å; K297-K301 HydrophobicContact CG-CD 4.12Å; K297-K301 WeakPolarHBondContact O-CB 2.99Å; K297-K301 WeakPolarHBondContact O-CG 3.17Å; K297-K301 PolarHBondContact O-N 3.4Å
298N76.9Confident67.9Low28 Ų2872.2 Ų72.215%0.1537%0.372CS..Hα-helixtrans-79-34-173.5-67-43.1000111.9G215 Y216 Q294 I295 S302 W304G215-N298 PolarHBondContact O-ND2 3.08Å; G215-N298 VanDerWaalsContact O-ND2 3.07Å; Y216-N298 WeakPolarHBondContact CB-ND2 3.2Å; Q294-N298 VanDerWaalsContact O-CB 3.3Å; Q294-N298 WeakPolarHBondContact O-CB 3.47Å; Q294-N298 VanDerWaalsContact O-CG 3.31Å; Q294-N298 PolarHBondContact O-N 3.3Å; Q294-N298 PolarHBondContact O-ND2 3.41Å; I295-N298 PolarHBondContact O-N 2.62Å; N298-S302 VanDerWaalsContact O-CB 3.24Å; N298-S302 WeakPolarHBondContact O-CB 3.17Å; N298-S302 PolarHBondContact O-OG 3.07Å; N298-W304 HydrophobicContact CB-CH2 3.6Å; N298-W304 HydrophobicContact CB-CZ3 3.64Å; N298-W304 WeakPolarHBondContact O-CZ3 3.4Å
299F69.1Low64.7Low55 Ų5574.6 Ų74.624%0.24139%0.39CS..Hα-helixtrans-85.7-18.3177.6-66.8-102.9000112.9F105 I211 I295 W304F105-F299 HydrophobicContact CD2-CD1 4.45Å; F105-F299 AromaticContact CD2-CE1 3.44Å; F105-F299 HydrophobicContact CD2-CE1 3.44Å; F105-F299 VanDerWaalsContact CD2-CE1 3.44Å; F105-F299 HydrophobicContact CD2-CE2 4.08Å; F105-F299 AromaticContact CD2-CZ 3.2Å; F105-F299 HydrophobicContact CD2-CZ 3.2Å; F105-F299 AromaticContact CE2-CE1 3.87Å; F105-F299 HydrophobicContact CE2-CE1 3.87Å; F105-F299 HydrophobicContact CE2-CE2 4.29Å; F105-F299 AromaticContact CE2-CZ 3.33Å; F105-F299 HydrophobicContact CE2-CZ 3.33Å; F105-F299 HydrophobicContact CG-CE1 4.39Å; F105-F299 HydrophobicContact CG-CZ 4.04Å; F105-F299 HydrophobicContact CZ-CZ 4.31Å; I211-F299 HydrophobicContact CG2-CE2 4.41Å; I211-F299 HydrophobicContact CG2-CZ 4.42Å; I295-F299 HydrophobicContact CB-CD2 4.14Å; I295-F299 HydrophobicContact CB-CE2 4.34Å; I295-F299 HydrophobicContact CG1-CE2 4.32Å; I295-F299 HydrophobicContact CG2-CD2 3.59Å; I295-F299 HydrophobicContact CG2-CE2 3.92Å; I295-F299 HydrophobicContact CG2-CG 4.15Å; I295-F299 WeakPolarHBondContact O-CB 3.23Å; I295-F299 WeakPolarHBondContact O-CD2 3.3Å; I295-F299 PolarHBondContact O-N 3.5Å; F299-W304 AromaticContact CD1-CE3 3.86Å; F299-W304 HydrophobicContact CD1-CE3 3.86Å; F299-W304 HydrophobicContact CD1-CZ3 4.25Å; F299-W304 HydrophobicContact CD2-CE3 4.17Å; F299-W304 AromaticContact CD2-CZ3 3.77Å; F299-W304 HydrophobicContact CD2-CZ3 3.77Å; F299-W304 AromaticContact CE1-CE3 3.97Å; F299-W304 HydrophobicContact CE1-CE3 3.97Å; F299-W304 HydrophobicContact CE1-CZ3 4.19Å; F299-W304 HydrophobicContact CE2-CE3 4.34Å; F299-W304 AromaticContact CE2-CZ3 3.77Å; F299-W304 HydrophobicContact CE2-CZ3 3.77Å; F299-W304 AromaticContact CG-CE3 3.96Å; F299-W304 HydrophobicContact CG-CE3 3.96Å; F299-W304 HydrophobicContact CG-CZ3 4.05Å; F299-W304 HydrophobicContact CZ-CE3 4.21Å; F299-W304 AromaticContact CZ-CZ3 3.95Å; F299-W304 HydrophobicContact CZ-CZ3 3.95Å
300A55.7Low61.9Low88 Ų8872.2 Ų72.273%0.72738%0.375SS*.Hα-helixtrans-87.7-32.6169.700000113.9K296 S302K296-A300 WeakPolarHBondContact O-CB 2.93Å; K296-A300 PolarHBondContact O-N 2.89Å; A300-S302 VanDerWaalsContact C-N 3.29Å
301K46.3Very low58.6Low155 Ų15575.1 Ų75.167%0.67439%0.391SS*.Hα-helixtrans-72.7-23.6178.4-80.9-177.6176.1-162.30113.3K297K297-K301 HydrophobicContact CG-CD 4.12Å; K297-K301 WeakPolarHBondContact O-CB 2.99Å; K297-K301 WeakPolarHBondContact O-CG 3.17Å; K297-K301 PolarHBondContact O-N 3.4Å
302S43.8Very low55.6Low18 Ų1880 Ų8013%0.12642%0.422CS..SBendtrans-101.1137.1-162.8-57.70000112.6N298 A300 W304N298-S302 VanDerWaalsContact O-CB 3.24Å; N298-S302 WeakPolarHBondContact O-CB 3.17Å; N298-S302 PolarHBondContact O-OG 3.07Å; A300-S302 VanDerWaalsContact C-N 3.29Å; S302-W304 VanDerWaalsContact CB-CE2 3.45Å; S302-W304 PolarHBondContact O-N 2.93Å; S302-W304 PolarHBondContact OG-NE1 3.45Å
303K40.7Very low52.5Low189 Ų18984.9 Ų84.982%0.82245%0.451SS*.G310 helixtrans-51.115.1149.5-67173.9172.2176.40113.7K305 A306K303-K305 PolarHBondContact O-N 3.11Å; K303-A306 WeakPolarHBondContact O-CA 3.24Å; K303-A306 WeakPolarHBondContact O-CB 3.21Å; K303-A306 PolarHBondContact O-N 2.94Å
304W45.5Very low49.5Very low60 Ų6088.1 Ų88.123%0.22747%0.466CS..G310 helixtrans-64.9-22.6172.4-62.7-12.7000112.3P217 Y220 N298 F299 S302 A306P217-W304 HydrophobicContact CG-CH2 3.71Å; P217-W304 HydrophobicContact CG-CZ2 3.91Å; Y220-W304 HydrophobicContact CD2-CZ2 4.02Å; Y220-W304 HydrophobicContact CE2-CZ2 4.06Å; N298-W304 HydrophobicContact CB-CH2 3.6Å; N298-W304 HydrophobicContact CB-CZ3 3.64Å; N298-W304 WeakPolarHBondContact O-CZ3 3.4Å; F299-W304 AromaticContact CD1-CE3 3.86Å; F299-W304 HydrophobicContact CD1-CE3 3.86Å; F299-W304 HydrophobicContact CD1-CZ3 4.25Å; F299-W304 HydrophobicContact CD2-CE3 4.17Å; F299-W304 AromaticContact CD2-CZ3 3.77Å; F299-W304 HydrophobicContact CD2-CZ3 3.77Å; F299-W304 AromaticContact CE1-CE3 3.97Å; F299-W304 HydrophobicContact CE1-CE3 3.97Å; F299-W304 HydrophobicContact CE1-CZ3 4.19Å; F299-W304 HydrophobicContact CE2-CE3 4.34Å; F299-W304 AromaticContact CE2-CZ3 3.77Å; F299-W304 HydrophobicContact CE2-CZ3 3.77Å; F299-W304 AromaticContact CG-CE3 3.96Å; F299-W304 HydrophobicContact CG-CE3 3.96Å; F299-W304 HydrophobicContact CG-CZ3 4.05Å; F299-W304 HydrophobicContact CZ-CE3 4.21Å; F299-W304 AromaticContact CZ-CZ3 3.95Å; F299-W304 HydrophobicContact CZ-CZ3 3.95Å; S302-W304 VanDerWaalsContact CB-CE2 3.45Å; S302-W304 PolarHBondContact O-N 2.93Å; S302-W304 PolarHBondContact OG-NE1 3.45Å; W304-A306 PolarHBondContact O-N 3.15Å
305K37.8Very low46.6Very low151 Ų15198.6 Ų98.666%0.65751%0.505SS*.G310 helixtrans-72.2-6.8166.4-67-168.6175.9-167.10113.9K303K303-K305 PolarHBondContact O-N 3.11Å
306A33.5Very low43.7Very low67 Ų67105.1 Ų105.155%0.55454%0.535SS*.SBendtrans-109.176.8178.400000109.3K303 W304K303-A306 WeakPolarHBondContact O-CA 3.24Å; K303-A306 WeakPolarHBondContact O-CB 3.21Å; K303-A306 PolarHBondContact O-N 2.94Å; W304-A306 PolarHBondContact O-N 3.15Å
307T34.1Very low41Very low86 Ų86108.6 Ų108.653%0.52856%0.555SS.*SBend-172.2121.9104.4-51.70000106.1
308F29.1Very low38.3Very low100 Ų100115.9 Ų115.944%0.43958%0.58SS.*SBendtrans79.6101.7-177.5-72-69.1000117.3T29 G30 A31T29-F308 WeakPolarHBondContact O-CD1 3.42Å; T29-F308 WeakPolarHBondContact O-CE1 3.37Å; G30-F308 VanDerWaalsContact C-CZ 3.41Å; G30-F308 WeakPolarHBondContact O-CE1 3.5Å; A31-F308 HydrophobicContact CB-CE1 4.5Å; A31-F308 HydrophobicContact CB-CE2 3.79Å; A31-F308 HydrophobicContact CB-CZ 3.69Å
309C28.9Very low36.2Very low69 Ų69125.4 Ų125.447%0.46661%0.614SS.*SBendtrans97.2108.3155.6-137.60000120L27 G28L27-C309 PolarHBondContact O-SG 2.8Å; G28-C309 WeakPolarHBondContact CA-SG 3.46Å
310Y32.6Very low34.3Very low116 Ų116130.2 Ų130.246%0.45564%0.641SS.*  trans68.8114146.2-86.1-105.7000123.2V26 L27 G28V26-Y310 WeakPolarHBondContact CA-OH 3.27Å; V26-Y310 WeakPolarHBondContact CB-OH 3.34Å; V26-Y310 HydrophobicContact CG1-CE2 4Å; V26-Y310 WeakPolarHBondContact CG1-OH 3.43Å; V26-Y310 WeakPolarHBondContact O-CE1 3.36Å; V26-Y310 PolarHBondContact O-OH 3.03Å; L27-Y310 VanDerWaalsContact C-CE2 3.44Å; L27-Y310 WeakPolarHBondContact O-CD2 3.45Å; L27-Y310 WeakPolarHBondContact O-CE2 3.29Å; G28-Y310 VanDerWaalsContact CA-CE2 3.45Å
311T25.9Very low33.4Very low109 Ų109134.8 Ų134.867%0.66965%0.647SS**  trans-62.2146.8158.539.40000111.1V313T311-V313 PolarHBondContact O-N 3.16Å; T311-V313 VanDerWaalsContact O-N 3.11Å
312P29.6Very low32.8Very low104 Ų104136.1 Ų136.168%0.67566%0.661SS**  trans-74.9104.1-170.730.1-33.8000111.5
313V27.9Very low32.1Very low110 Ų110139 Ų13967%0.66769%0.693SS**  trans-113.558.7164.8-167.40000109.9T311 H316T311-V313 PolarHBondContact O-N 3.16Å; T311-V313 VanDerWaalsContact O-N 3.11Å; V313-H316 HydrophobicContact CG1-CB 4.13Å
314V30.1Very low31.5Very low118 Ų118136.5 Ų136.572%0.71569%0.694SS**SBendtrans-100.51.9160.9-176.90000111.2
315R28.6Very low30.7Very low242 Ų242138.4 Ų138.491%0.91372%0.717SS**SBendtrans-97.65.8179.9-133.2175.1-175.1162.62.2116.1
316H28.9Very low30.2Very low141 Ų141138.4 Ų138.465%0.65372%0.723SS**SBendtrans-117.68.3-176.4-143.467.8000116.7V313V313-H316 HydrophobicContact CG1-CB 4.13Å
317M29.4Very low29.9Very low182 Ų182144 Ų14490%0.89774%0.738SS**SBendtrans-113.130.8177.2-79.3-15315600115.3
318R31Very low29.5Very low246 Ų246143.5 Ų143.593%0.92875%0.75SS**SBendtrans-122.121.8167.1-145.3-177-90.8-166.3-3.8114.2
319R31.9Very low29.8Very low227 Ų227144.6 Ų144.686%0.85777%0.767SS**SBendtrans-135.916.5178.7-100.4-171.6-166.3-171.14116.7
320L30.2Very low29.5Very low157 Ų157146.6 Ų146.682%0.82278%0.781SS**SBendtrans-117.657.4169.5-69.6171.8000110.6
321Q36.8Very low29.2Very low183 Ų183149.6 Ų149.686%0.85580%0.8SS**SBendtrans-158.577.5158.9-104.9169.44.500106.7
322L33.7Very low29.2Very low184 Ų184152 Ų15296%0.96381%0.807SS**SBendtrans150.4107.8158.7-86.7147.9000108.8
323G28.2Very low28.9Very low77 Ų77152.9 Ų152.979%0.79481%0.811SS**  trans139.867.9165.800000115.2
324T28.8Very low29.4Very low137 Ų137152.7 Ų152.784%0.8481%0.811SS**  trans-60.2138.2153.441.30000110.7
325S27.2Very low29.1Very low101 Ų101153.2 Ų153.271%0.70682%0.815SS**  trans126.5113.8136.1-630000117.4
326L28.3Very low29Very low150 Ų150146.9 Ų146.979%0.78581%0.808SS**  trans86.9125.2130.4-66.8167.7000122.4
327E27.2Very low29.4Very low185 Ų185145.4 Ų145.486%0.86481%0.811SS**  trans84.6123.7146.6-67.8-179.1175.800121.3
328G24.5Very low29.2Very low76 Ų76141.5 Ų141.578%0.78480%0.8SS**  trans-98.3-142.9172.300000112.5
329P35.4Very low29Very low123 Ų123138.6 Ų138.680%0.79980%0.797SS**  cis-122.3170.3-42.938.3-24.6000112.2
330S24.3Very low28.7Very low110 Ų110130.8 Ų130.877%0.76979%0.787SS**  trans158.3126.1132.4-70.30000116
331Q24.6Very low28.4Very low180 Ų180131.9 Ų131.984%0.84179%0.788SS**  trans41.9143136.2-56.7-171.4-20.500124.4
332I27Very low27.8Very low159 Ų159129.3 Ų129.382%0.81578%0.779SS**  136.5115128.2-63176.4000113
333T23Very low27.3Very low123 Ų123127.2 Ų127.276%0.75577%0.768SS**  trans-88.4-172.8157.553.50000109.4
334P37.7Very low27.1Very low105 Ų105131.7 Ų131.768%0.68277%0.766SS**  cis-128.9-172.6-7.8226.4000110.2
335T25.5Very low26.8Very low130 Ų130130.8 Ų130.880%0.79876%0.761SS**  174.2148.867.137.50000110.5
336S24.7Very low26.7Very low109 Ų109129.8 Ų129.876%0.76277%0.766SS**  trans-71.5-165.1156.1-43.90000110.8
337P38.4Very low26.5Very low110 Ų110131.3 Ų131.371%0.71477%0.769SS**  cis-151.5-172.823.437-10.2000118.8
338C24.8Very low26.5Very low100 Ų100129 Ų12968%0.67676%0.763SS**  trans67.3148.3145.865.60000119.2
339H26.7Very low26.5Very low185 Ų185131.7 Ų131.786%0.85676%0.759SS**  cis-153.915724-102-68.2000107.6
340G25.3Very low26Very low63 Ų63131.8 Ų131.865%0.64976%0.757SS**  134.2123.661.700000107.4
341H25.2Very low26.1Very low180 Ų180131.1 Ų131.183%0.83375%0.752SS**  62.2134.4105.1-109.72000114.2
342L24.3Very low26.2Very low128 Ų128131.9 Ų131.967%0.6776%0.756SS**  cis-164.8140.128.6-99.6120.8000106.7
343L22Very low26.2Very low140 Ų140134.8 Ų134.873%0.73376%0.758SS**  53.4118102.8-87.4169.9000117.7
344F23.7Very low26.4Very low171 Ų171137.8 Ų137.875%0.7576%0.764SS**  162.6130.8106.5-127.2-119.2000113.4
345T23.2Very low25.9Very low119 Ų119140.6 Ų140.673%0.7377%0.773SS**  trans41.4141.2141.362.60000124.5
346G25.5Very low25.9Very low80 Ų80136.8 Ų136.883%0.82576%0.76SS**  trans175.8108.5147.500000113.5
347Q24.5Very low26.1Very low182 Ų182143.5 Ų143.585%0.8577%0.768SS**  trans-76.7173.5173.7-78.6173.9-55.900113.3
348N25.9Very low25.6Very low137 Ų137150.1 Ų150.173%0.73378%0.779SS**  trans99.4139.6156.9-63-19.2000114.8
349N25.1Very low25.6Very low131 Ų131148.7 Ų148.770%0.70178%0.781SS**  cis-175.9151-8.7-123.6-12.2000106.6
350V25.5Very low25.6Very low126 Ų126145.5 Ų145.576%0.76478%0.78SS**  trans68.5136.3143.4-174.90000115.8
351S26.5Very low25.6Very low95 Ų95149.8 Ų149.866%0.66479%0.788SS**  cis-168140.328.427.50000108.8
352H25.2Very low25.8Very low196 Ų196150.1 Ų150.191%0.90779%0.79SS**  trans-114.5128.1162-109.1-76.6000109.3
353Y26.5Very low25.7Very low220 Ų220147.6 Ų147.686%0.86379%0.794SS**  trans-103122.3162.1-93.4-89.7000108.3
354E27.4Very low25.9Very low187 Ų187146.9 Ų146.987%0.87480%0.802SS**  trans-68.1165.9153.3-84.4-179.1162.800109.3
355D28.7Very low26Very low163 Ų163144.5 Ų144.587%0.87280%0.801SS**  cis-176165.50.3165.238.1000105.1
356G25.5Very low26.2Very low51 Ų51146.1 Ų146.153%0.52681%0.805SS.*  trans129.9120137.800000120.3
357R27.9Very low26.1Very low250 Ų250152.8 Ų152.894%0.94381%0.805SS**  trans90.4146.3148.9-59.3-177.1-176.3-160.31.1117.9
358R27.3Very low26.1Very low248 Ų248151 Ų15194%0.93680%0.802SS**  cis151.8131.7-19.4-118.1-165.7-177.4-162.92.1105.9
359G25.9Very low26.1Very low70 Ų70150.1 Ų150.172%0.72281%0.806SS**  trans92150.1153.700000116.9
360S26.6Very low26.4Very low119 Ų119152 Ų15283%0.83282%0.816SS**  cis-168.9149-4.4-51.90000107.7
361N25.7Very low26.6Very low152 Ų152157.8 Ų157.881%0.81382%0.824SS**  trans39.7128.9137.7-104.721.2000123
362E28Very low26.5Very low187 Ų187157.6 Ų157.687%0.87482%0.822SS**  171.3147.6106.9-94179.4-172.600112.2
363G23.6Very low26.6Very low75 Ų75153.9 Ų153.977%0.77382%0.817SS**  trans-113.9170-179.800000113.6
364S25.6Very low26.6Very low126 Ų126148.7 Ų148.788%0.88181%0.808SS**  trans-168.4154150.549.20000111.7
365T26.5Very low27Very low120 Ų120146 Ų14674%0.73679%0.791SS**  trans-81.1148.8-173.943.50000113.3
366D26Very low26.9Very low154 Ų154144.3 Ų144.382%0.82479%0.791SS**  169.4164.8107.8-102.3-36000114.7
367R25Very low27.2Very low219 Ų219146.5 Ų146.583%0.82680%0.797SS**  trans-71.7169.5-165.1-71.2173.8168.5-173.5-3.3117.4
368D24.7Very low27.4Very low146 Ų146143.7 Ų143.778%0.78179%0.786SS**  trans89.3104.3157.3-66.2-18.8000118.9
369S24.7Very low27.3Very low117 Ų117137.3 Ų137.382%0.81878%0.777SS**  162.2127.6107.5-73.50000112.1R371S369-R371 PolarHBondContact O-N 2.96Å
370L32.3Very low27.6Very low172 Ų172139.6 Ų139.690%0.90178%0.777SS**  trans-56.4115.6162.6-82.695.2000110
371R28.3Very low27.7Very low247 Ų247139.8 Ų139.893%0.93278%0.778SS**  trans176.3139.7145.8-98.9164.1-171.4-148.72.6109.8S369S369-R371 PolarHBondContact O-N 2.96Å
372S26.2Very low28Very low91 Ų91143.9 Ų143.964%0.63678%0.782SS**  trans82.882.8167.6-1560000117.3T374S372-T374 PolarHBondContact O-N 2.92Å; S372-T374 VanDerWaalsContact O-N 3.14Å; S372-T374 WeakPolarHBondContact OG-CG2 3.42Å; S372-T374 PolarHBondContact OG-OG1 2.71Å
373C26.1Very low28.1Very low118 Ų118146.6 Ų146.680%0.79780%0.8SS**  trans-77.978.5147.4-81.10000108.2Y375C373-Y375 HydrophobicContact CB-CE2 4.43Å
374T26.4Very low28.4Very low110 Ų110150.2 Ų150.268%0.67580%0.802SS**  trans-82.6103.5161.326.10000107S372 C376S372-T374 PolarHBondContact O-N 2.92Å; S372-T374 VanDerWaalsContact O-N 3.14Å; S372-T374 WeakPolarHBondContact OG-CG2 3.42Å; S372-T374 PolarHBondContact OG-OG1 2.71Å; T374-C376 PolarHBondContact O-N 3.47Å
375Y35.8Very low28.5Very low130 Ų130151.5 Ų151.551%0.5180%0.798SS.*  trans-62.7124.6169-65.8-89.5000108.5C373 C377C373-Y375 HydrophobicContact CB-CE2 4.43Å; Y375-C377 PolarHBondContact O-N 2.83Å
376C27.8Very low28.6Very low128 Ų128153.2 Ų153.287%0.86580%0.801SS**  trans-76.775.4173.1-76.60000109.9T374 R378T374-C376 PolarHBondContact O-N 3.47Å; C376-R378 PolarHBondContact O-N 3.36Å
377C31.5Very low28.8Very low98 Ų98153.2 Ų153.266%0.66280%0.8SS**  trans-73.2115.4152.9-68.40000106.7Y375Y375-C377 PolarHBondContact O-N 2.83Å
378R31.2Very low29Very low191 Ų191149.1 Ų149.172%0.72180%0.798SS**PPolyproline II helixtrans-64.8130.3175-75.3-175.2174.2-174.50.8108.6C376C376-R378 PolarHBondContact O-N 3.36Å
379P26.4Very low29.3Very low114 Ų114149.3 Ų149.374%0.7480%0.799SS**PPolyproline II helixtrans-65.6137.2171.8-13.827.2000109.8S381P379-S381 PolarHBondContact O-N 3.3Å; P379-S381 VanDerWaalsContact O-N 3.16Å
380T31.8Very low29.6Very low118 Ų118151.6 Ų151.672%0.72480%0.798SS**PPolyproline II helixtrans-48.5116.4173.139.40000111.2R382T380-R382 PolarHBondContact O-N 3.16Å
381S27.8Very low29.4Very low122 Ų122150 Ų15085%0.85379%0.79SS**  trans-82.7100167.9-54.90000107.8P379 I383P379-S381 PolarHBondContact O-N 3.3Å; P379-S381 VanDerWaalsContact O-N 3.16Å; S381-I383 PolarHBondContact O-N 3.33Å
382R31.5Very low29.5Very low239 Ų239141.9 Ų141.990%0.90278%0.778SS**  trans-60.9118.8164-73.1179.9177.9-173.3-1.3109.3T380T380-R382 PolarHBondContact O-N 3.16Å
383I31.8Very low29.8Very low244 Ų244146.5 Ų146.5100%1.25179%0.791SS**  trans-144.60134.2-60.4-169.9000107.8S381S381-I383 PolarHBondContact O-N 3.33Å

Retrieved 383 of 383 residues in 247.1 ms (Link to these results)

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